input word = C00009336

Metabolite InformationStructural formula
Name Psidinin C
Formula C55H38O31
Mw 1194.1397045
CAS RN 145826-28-4
C_ID C00009336 ,
InChIKey NIFMLTJCPJDRJC-CLOGAFAUNA-N
InChICode InChI=1S/C55H38O31/c56-17-9-26-31(45-13(17)5-25(64)44(82-45)11-1-18(57)35(65)19(58)2-11)33-47-48(85-53(78)16-8-24(63)39(69)42(72)30(16)32-34(54(79)84-47)55(33,86-26)49(74)43(32)73)46-27(81-50(75)12-3-20(59)36(66)21(60)4-12)10-80-51(76)14-6-22(61)37(67)40(70)28(14)29-15(52(77)83-46)7-23(62)38(68)41(29)71/h1-4,6-9,25,27,33-34,44,46-48,56-73H,5,10H2/t25-,27+,33-,34-,44+,46-,47+,48+,55-/m1/s1
SMILES O1c2c(C[C@H]([C@@H]1c1cc(c(c(c1)O)O)O)O)c(cc1c2[C@@H]2[C@H]3[C@H]([C@H]4[C@@H](OC(=O)c5cc(c(c(c5)O)O)O)COC(=O)c5c(c(c(c(c5)O)O)O)c5c(cc(c(c5O)O)O)C(=O)O4)OC(=O)c4cc(c(c(c4C4=C(C(=O)[C@@]2([C@H]4C(=O)O3)O1)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaePsidium guajava Ref.
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OrganismPsidium guajava
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

Tanaka,Chem.Pharm.Bull,40,(1992),2092