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cis-p-Coumaric acid 4-[apiosyl-(1->2)-glucoside]

PropertiesImage
MNX_IDMNXM120609 Image of MNXM120609
referencechebi:167954
formulaC20H26O12
global charge0
mol weight458.416
InChIKeyDAVWDWCHQLSZAZ-ZZXKWVIFSA-N
InChIInChI=1S/C20H26O12/c21-7-12-14(25)15(26)16(32-19-17(27)20(28,8-22)9-29-19)18(31-12)30-11-4-1-10(2-5-11)3-6-13(23)24/h1-6,12,14-19,21-22,25-28H,7-9H2,(H,23,24)/b6-3+
SMILESO=C(O)/C=C/C1=CC=C(OC2OC(CO)C(O)C(O)C2OC2OCC(O)(CO)C2O)C=C1
MNX internals
InChI (mnx)InChI=1/C20H26O12/c21-7-12-14(25)15(26)16(32-19-17(27)20(28,8-22)9-29-19)18(31-12)30-11-4-1-10(2-5-11)3-6-13(23)24/h1-6,12,14-19,21-22,25-28H,7-9H2,(H,23,24)/b6-3+/t12?,14?,15?,16?,17?,18?,19?,20? Image of MNXM120609
SMILES (mnx)[CH:1]1=[CH:4][C:11]([O:30][CH:18]2[CH:16]([O:32][CH:19]3[CH:17]([OH:27])[C:20]([CH2:8][OH:22])([OH:28])[CH2:9][O:29]3)[CH:15]([OH:26])[CH:14]([OH:25])[CH:12]([CH2:7][OH:21])[O:31]2)=[CH:5][CH:2]=[C:10]1/[CH:3]=[CH:6]/[C:13](=[O:23])[OH:24]
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:167954
chebi:167954
DAVWDWCHQLSZAZ-ZZXKWVIFSA-N 		cis-p-Coumaric acid 4-[apiosyl-(1->2)-glucoside]
(E)-3-[4-[3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid
hmdb:HMDB0037088
DAVWDWCHQLSZAZ-ZZXKWVIFSA-N 		cis-p-Coumaric acid 4-[apiosyl-(1->2)-glucoside]
(2E)-3-{4-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]phenyl}prop-2-enoate
(2E)-3-{4-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]phenyl}prop-2-enoic acid
cis-p-Coumarate 4-[apiosyl-(1->2)-glucoside]

hmdb:HMDB37088 		secondary/obsolete/fantasy identifier