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Keioside

PropertiesImage
MNX_IDMNXM127083 Image of MNXM127083
referencechebi:139417
formulaC28H32O16
global charge0
mol weight624.548
InChIKeyUIDGLYUNOUKLBM-UHFFFAOYSA-N
InChIInChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3
SMILESCOC1=C(O)C=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C(=O)C3=C(C=C(O)C=C3O)O2)=C1
MNX internals
InChI (mnx)InChI=1/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9?,16?,18?,19?,21?,22?,23?,24?,27?,28? Image of MNXM127083
SMILES (mnx)[CH3:1][CH:9]1[CH:18]([OH:32])[CH:21]([OH:35])[CH:23]([OH:37])[CH:27]([O:40][CH2:8][CH:16]2[CH:19]([OH:33])[CH:22]([OH:36])[CH:24]([OH:38])[CH:28]([O:44][C:26]3=[C:25]([C:10]4=[CH:5][C:14]([O:39][CH3:2])=[C:12]([OH:30])[CH:4]=[CH:3]4)[O:42][C:15]4=[CH:7][C:11]([OH:29])=[CH:6][C:13]([OH:31])=[C:17]4[C:20]3=[O:34])[O:43]2)[O:41]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:139417
chebi:139417
UIDGLYUNOUKLBM-UHFFFAOYSA-N 		Keioside
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-1-benzopyran-3-yl 6-O-(6-deoxyhexopyranosyl)hexopyranoside
hmdb:HMDB0037746
UIDGLYUNOUKLBM-UHFFFAOYSA-N 		Keioside
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4H-chromen-4-one
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]chromen-4-one
I-rha-gal
Isorhamnetin 3-robinobioside
Narcissin
Narcissin flavonol

hmdb:HMDB37746 		secondary/obsolete/fantasy identifier