input word = C00009334

Metabolite InformationStructural formula
Name Psidinin A
Formula C55H36O31
Mw 1192.12405444
CAS RN 145826-26-2
C_ID C00009334 ,
InChIKey XWKIGIQTPIVWIV-AANZQSMYNA-N
InChICode InChI=1S/C55H36O31/c56-14-7-21-26(45-10(14)3-20(62)44(82-45)9-1-15(57)33(63)16(58)2-9)31-47-48-46-22(8-80-50(75)11-4-17(59)34(64)37(67)23(11)24-12(52(77)83-46)5-18(60)35(65)38(24)68)81-51(76)13-6-19(61)36(66)39(69)25(13)27-29(53(78)85-48)28(41(71)43(73)40(27)70)30-32(54(79)84-47)55(31,86-21)49(74)42(30)72/h1-2,4-7,20,22,31-32,44,46-48,56-73H,3,8H2/t20-,22-,31?,32+,44+,46-,47+,48+,55-/m1/s1
SMILES c1(c(c(c2c(c1)C(=O)O[C@@H]1[C@@H](COC(=O)c3cc(c(c(c23)O)O)O)OC(=O)c2cc(c(c(c2c2c(c(c(c3c2C(=O)O[C@@H]1[C@H]1OC(=O)[C@@H]2C3=C(C(=O)[C@]32[C@@H]1c1c(cc(c2c1O[C@H]([C@@H](C2)O)c1cc(c(c(c1)O)O)O)O)O3)O)O)O)O)O)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