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fisetinidol-(4alpha,8)-catechin

PropertiesImage
MNX_IDMNXM105145 Image of MNXM105145
referencechebi:68334
formulaC30H26O11
global charge0
mol weight562.527
InChIKeyCVPALQKJIJFGCD-WXMJOIKDSA-N
InChIInChI=1S/C30H26O11/c31-14-3-4-15-24(9-14)40-29(13-2-6-18(33)21(36)8-13)27(39)25(15)26-22(37)11-19(34)16-10-23(38)28(41-30(16)26)12-1-5-17(32)20(35)7-12/h1-9,11,23,25,27-29,31-39H,10H2/t23-,25-,27-,28+,29+/m0/s1
SMILESOC1=CC=C2C(=C1)O[C@H](C1=CC(O)=C(O)C=C1)[C@@H](O)[C@@H]2C1=C2O[C@H](C3=CC(O)=C(O)C=C3)[C@@H](O)CC2=C(O)C=C1O
MNX internals
InChI (mnx)InChI=1/C30H26O11/c31-14-3-4-15-24(9-14)40-29(13-2-6-18(33)21(36)8-13)27(39)25(15)26-22(37)11-19(34)16-10-23(38)28(41-30(16)26)12-1-5-17(32)20(35)7-12/h1-9,11,23,25,27-29,31-39H,10H2/t23-,25-,27-,28+,29+/m0/s1 Image of MNXM105145
SMILES (mnx)[CH:1]1=[CH:5][C:17]([OH:32])=[C:20]([OH:35])[CH:7]=[C:12]1[C@@H:28]1[C@@H:23]([OH:38])[CH2:10][C:16]2=[C:30]([C:26]([C@@H:25]3[C:15]4=[C:24]([CH:9]=[C:14]([OH:31])[CH:3]=[CH:4]4)[O:40][C@H:29]([C:13]4=[CH:8][C:21]([OH:36])=[C:18]([OH:33])[CH:6]=[CH:2]4)[C@H:27]3[OH:39])=[C:22]([OH:37])[CH:11]=[C:19]2[OH:34])[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:68334
chebi:68334
CVPALQKJIJFGCD-WXMJOIKDSA-N 		fisetinidol-(4alpha,8)-catechin
(2R,2'R,3S,3'S,4S)-2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3,3',5',7,7'-pentol
hmdb:HMDB0032007
CVPALQKJIJFGCD-UHFFFAOYSA-N 		Epifisetinidol-(4beta->8)-catechin
2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
Epifisetinidol(4b->8)catechin
Epifisetinidol-(4b->8)-catechin

hmdb:HMDB32007 		secondary/obsolete/fantasy identifier