input word = C00009198

Metabolite InformationStructural formula
Name [5-O-beta-D-Glucopyranosylluteoliflavan-(4beta->8)]2-eriodictyol-5-O-beta-D-glucopyranoside
Formula C63H66O31
Mw 1318.3588054
CAS RN 104250-03-5
C_ID C00009198 ,
InChIKey LSQOZSFZEITIOC-FPMBFPFJNA-N
InChICode InChI=1S/C63H66O31/c64-17-42-50(77)53(80)56(83)61(92-42)89-39-11-23(67)10-38-47(39)24(12-35(86-38)20-1-4-26(68)29(71)7-20)45-32(74)15-40(90-62-57(84)54(81)51(78)43(18-65)93-62)48-25(13-36(87-59(45)48)21-2-5-27(69)30(72)8-21)46-33(75)16-41(91-63-58(85)55(82)52(79)44(19-66)94-63)49-34(76)14-37(88-60(46)49)22-3-6-28(70)31(73)9-22/h1-11,15-16,24-25,35-37,42-44,50-58,61-75,77-85H,12-14,17-19H2/t24-,25+,35-,36+,37-,42-,43-,44+,50+,51+,52+,53-,54-,55-,56-,57+,58+,61+,62+,63+/m0/s1
SMILES c12c([C@H](C[C@@H](O1)c1ccc(c(c1)O)O)c1c3c(C(=O)C[C@H](O3)c3ccc(c(c3)O)O)c(cc1O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)c(cc(c2[C@H]1c2c(O[C@@H](C1)c1ccc(c(c1)O)O)cc(cc2O[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeSorghum vulgare Ref.
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