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fisetinidol-(4alpha,8)-catechin

Properties

Image

Occurences in reactions

MNX_ID

MNXM105145

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₃₀H₂₆O₁₁

charge

mass

562.14751

reference

chebi:68334

InChIKey

CVPALQKJIJFGCD-WXMJOIKDSA-N

InChI

InChI=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

SMILES

Oc1ccc2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:68334 chebi:68334	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	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