input word = C00009369

Metabolite InformationStructural formula
Name Malabathrin F
Formula C55H38O30
Mw 1178.14478988
CAS RN 147934-07-4
C_ID C00009369 ,
InChIKey CJXZDJQSVZQARQ-SPXJMFLCNA-N
InChICode InChI=1S/C55H38O30/c56-18-2-1-12(3-19(18)57)44-26(64)6-14-27(80-44)10-20(58)32-34-47-48(84-53(77)17-9-25(63)39(68)42(71)31(17)33-35(54(78)83-47)55(34,85-45(14)32)49(73)43(33)72)46-28(81-50(74)13-4-21(59)36(65)22(60)5-13)11-79-51(75)15-7-23(61)37(66)40(69)29(15)30-16(52(76)82-46)8-24(62)38(67)41(30)70/h1-5,7-10,26,28,34-35,44,46-48,56-72H,6,11H2/t26-,28+,34+,35+,44-,46+,47-,48-,55-/m0/s1
SMILES [C@H]1([C@H]2[C@@H]3[C@@H]4[C@@]5([C@H](C(=C(C5=O)O)c5c(C(=O)O2)cc(c(c5O)O)O)C(=O)O3)Oc2c4c(cc3c2C[C@@H]([C@@H](O3)c2cc(c(cc2)O)O)O)O)[C@H](OC(=O)c2cc(c(c(c2)O)O)O)COC(=O)c2c(c(c(c(c2)O)O)O)c2c(cc(c(c2O)O)O)C(=O)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMelastomataceaeMelastoma malabathricum Ref.
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OrganismMelastoma malabathricum
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

Yoshida,Chem.Pharm.Bull.,40,(1992),1727