Search MNXref
 Feedback

Phytolaccoside F

PropertiesImage
MNX_IDMNXM129677 Image of MNXM129677
referencechebi:192228
formulaC48H76O19
global charge0
mol weight957.117
InChIKeyGSUHSCPABMCWMK-UHFFFAOYSA-N
InChIInChI=1S/C48H76O19/c1-22-30(52)33(55)35(57)38(63-22)66-37-34(56)32(54)26(19-49)64-40(37)67-36-31(53)25(51)20-62-39(36)65-29-11-12-44(3)27(45(29,4)21-50)10-13-47(6)28(44)9-8-23-24-18-43(2,42(60)61-7)14-16-48(24,41(58)59)17-15-46(23,47)5/h8,22,24-40,49-57H,9-21H2,1-7H3,(H,58,59)
SMILESCOC(=O)C1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1
MNX internals
InChI (mnx)InChI=1/C48H76O19/c1-22-30(52)33(55)35(57)38(63-22)66-37-34(56)32(54)26(19-49)64-40(37)67-36-31(53)25(51)20-62-39(36)65-29-11-12-44(3)27(45(29,4)21-50)10-13-47(6)28(44)9-8-23-24-18-43(2,42(60)61-7)14-16-48(24,41(58)59)17-15-46(23,47)5/h8,22,24-40,49-57H,9-21H2,1-7H3,(H,58,59)/t22?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,43?,44?,45?,46?,47?,48? Image of MNXM129677
SMILES (mnx)[CH3:1][CH:22]1[CH:30]([OH:52])[CH:33]([OH:55])[CH:35]([OH:57])[CH:38]([O:66][CH:37]2[CH:34]([OH:56])[CH:32]([OH:54])[CH:26]([CH2:19][OH:49])[O:64][CH:40]2[O:67][CH:36]2[CH:31]([OH:53])[CH:25]([OH:51])[CH2:20][O:62][CH:39]2[O:65][CH:29]2[CH2:11][CH2:12][C:44]3([CH3:3])[CH:27]([CH2:10][CH2:13][C:47]4([CH3:6])[CH:28]3[CH2:9][CH:8]=[C:23]3[CH:24]5[CH2:18][C:43]([CH3:2])([C:42](=[O:60])[O:61][CH3:7])[CH2:14][CH2:16][C:48]5([C:41](=[O:58])[OH:59])[CH2:17][CH2:15][C:46]34[CH3:5])[C:45]2([CH3:4])[CH2:21][OH:50])[O:63]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:192228
chebi:192228
GSUHSCPABMCWMK-UHFFFAOYSA-N 		Phytolaccoside F
10-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-9-(hydroxymethyl)-2-methoxycarbonyl-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

kegg.glycan:G08455
keggG:G08455 		Phytolaccoside F
hmdb:HMDB0040880
GSUHSCPABMCWMK-UHFFFAOYSA-N 		Phytolaccoside F
10-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl)oxy]-9-(hydroxymethyl)-2-(methoxycarbonyl)-2,6a,6b,9,12a-pentamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
10-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl)oxy]-9-(hydroxymethyl)-2-(methoxycarbonyl)-2,6a,6b,9,12a-pentamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
10-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl)oxy]-9-(hydroxymethyl)-2-(methoxycarbonyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid
Cinnabarin
Cinnabarine
Polystictin
Polystictine

hmdb:HMDB40880
keggG:M_G08455 		secondary/obsolete/fantasy identifier