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Coroloside

PropertiesImage
MNX_IDMNXM18126 Image of MNXM18126
referencechebi:168153
formulaC35H54O12
global charge0
mol weight666.805
InChIKeyBKLVUVLBSZAKIF-UHFFFAOYSA-N
InChIInChI=1S/C35H54O12/c1-17-31(47-32-30(41)29(40)28(39)25(15-36)46-32)24(37)14-27(44-17)45-20-6-9-33(2)19(13-20)4-5-23-22(33)7-10-34(3)21(8-11-35(23,34)42)18-12-26(38)43-16-18/h12,17,19-25,27-32,36-37,39-42H,4-11,13-16H2,1-3H3
SMILESCC1OC(OC2CCC3(C)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)CCC43O)C2)CC(O)C1OC1OC(CO)C(O)C(O)C1O
MNX internals
InChI (mnx)InChI=1/C35H54O12/c1-17-31(47-32-30(41)29(40)28(39)25(15-36)46-32)24(37)14-27(44-17)45-20-6-9-33(2)19(13-20)4-5-23-22(33)7-10-34(3)21(8-11-35(23,34)42)18-12-26(38)43-16-18/h12,17,19-25,27-32,36-37,39-42H,4-11,13-16H2,1-3H3/t17?,19?,20?,21?,22?,23?,24?,25?,27?,28?,29?,30?,31?,32?,33?,34?,35? Image of MNXM18126
SMILES (mnx)[CH3:1][CH:17]1[CH:31]([O:47][CH:32]2[CH:30]([OH:41])[CH:29]([OH:40])[CH:28]([OH:39])[CH:25]([CH2:15][OH:36])[O:46]2)[CH:24]([OH:37])[CH2:14][CH:27]([O:45][CH:20]2[CH2:6][CH2:9][C:33]3([CH3:2])[CH:19]([CH2:4][CH2:5][CH:23]4[CH:22]3[CH2:7][CH2:10][C:34]3([CH3:3])[CH:21]([C:18]5=[CH:12][C:26](=[O:38])[O:43][CH2:16]5)[CH2:8][CH2:11][C:35]43[OH:42])[CH2:13]2)[O:44]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:168153
chebi:168153
BKLVUVLBSZAKIF-UHFFFAOYSA-N 		Coroloside
3-[14-hydroxy-3-[4-hydroxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-uran-5-one
hmdb:HMDB0033703
BKLVUVLBSZAKIF-UHFFFAOYSA-N 		Coroloside
2-Oleodipalmitin
4-{11-hydroxy-5-[(4-hydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl}-2,5-dihydrofuran-2-one
4-{11-hydroxy-5-[(4-hydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl}-5H-furan-2-one
Glycerol 1,3-dihexadecanoic acid 2-(9Z-octadecenoic acid)
a,A'-dipalmitoolein

hmdb:HMDB33703 		secondary/obsolete/fantasy identifier