input word = C00009360

Metabolite InformationStructural formula
Name Acutissimin C
Formula C42H32O23
Mw 904.13343733
CAS RN 108907-40-0
C_ID C00009360 ,
InChIKey WSJGKKNJHDGXDS-BOZDBEDNNA-N
InChICode InChI=1S/C42H32O23/c43-7-17-28(51)39-38-24(19-14(47)6-12(45)9-4-16(49)36(63-37(9)19)8-1-2-11(44)13(46)3-8)23-26(41(60)64-38)22(32(55)35(58)33(23)56)21-25(42(61)65-39)20(30(53)34(57)31(21)54)18-10(40(59)62-17)5-15(48)27(50)29(18)52/h1-3,5-6,16-17,24,28,36,38-39,43-58H,4,7H2/t16-,17+,24-,28+,36-,38-,39-/m0/s1
SMILES OC[C@@H]1[C@@H](O)[C@H]2[C@H]3OC(=O)c4c(c5c(c(c(c(c6c(C(=O)O1)cc(c(c6O)O)O)c5C(=O)O2)O)O)O)c(c(c(c4[C@@H]3c1c(cc(c2c1O[C@H]([C@H](C2)O)c1cc(c(cc1)O)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFagaceaeQuercus mongolica Ref.
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OrganismQuercus mongolica
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

Ishimaru,Chem.Pharm.Bull.,36,(1988),3319

Nonaka,Chem.Pharm.Bull.,38,(1990),2151