input word = C00009306

Metabolite InformationStructural formula
Name Pavetannin C 1
Formula C60H48O24
Mw 1152.25355247
CAS RN 88038-15-7
C_ID C00009306 ,
InChIKey VFVVDFLDUBZQGX-ANAOSUIYNA-N
InChICode InChI=1S/C60H48O24/c61-23-13-34(71)42-39(14-23)80-55(20-2-6-26(63)31(68)10-20)52(77)48(42)43-36(73)17-40-46(51(43)76)50-47-41(84-60(83-40,59(50)79)22-4-8-28(65)33(70)12-22)18-37(74)45-49(53(78)56(82-58(45)47)21-3-7-27(64)32(69)11-21)44-35(72)16-29(66)24-15-38(75)54(81-57(24)44)19-1-5-25(62)30(67)9-19/h1-14,16-18,38,48-50,52-56,59,61-79H,15H2/t38-,48+,49+,50+,52+,53+,54+,55+,56+,59+,60-/m0/s1
SMILES Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc2c(c1O)[C@@H]1c3c(cc(O)c4c3O[C@H](c3ccc(O)c(O)c3)[C@H](O)[C@H]4c3c(O)cc(O)c4c3O[C@H](c3ccc(O)c(O)c3)[C@H](O)C4)O[C@](c3ccc(O)c(O)c3)(O2)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLauraceaeCinnamomum sieboldii Ref.
PlantaeLauraceaeCinnamomum zeylanicum Ref.
PlantaeRubiaceaePavetta owariensis Ref.
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OrganismPavetta owariensis
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

Morimoto,Chem.Pharm.Bull,33,(1985),4338

Balde,Phytochem.,38,(1995),719