input word = C00009341

Metabolite InformationStructural formula
Name Stachyuranin C
Formula C62H42O36
Mw 1362.14557774
CAS RN 172617-79-7
C_ID C00009341 ,
InChIKey JALFIMSSLUCMAC-IMPXUFIINA-N
InChICode InChI=1S/C62H42O36/c63-19-10-28-34(50-14(19)5-27(71)49(94-50)12-1-20(64)38(72)21(65)2-12)36-53-54(97-60(89)16-7-25(69)41(75)45(79)33(16)35-37(61(90)96-53)62(36,98-28)55(83)47(35)81)52-30(93-57(86)13-3-22(66)39(73)23(67)4-13)11-91-58(87)17-9-29(92-51-18(56(84)85)8-26(70)42(76)48(51)82)43(77)46(80)32(17)31-15(59(88)95-52)6-24(68)40(74)44(31)78/h1-4,6-10,27,30,36-37,49,52-54,63-82H,5,11H2,(H,84,85)/t27-,30+,36+,37+,49-,52+,53-,54-,62+/m0/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)Oc5c(cc(c(c5O)O)O)C(=O)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
PlantaeStachyuraceaeStachyurus praecox Ref.
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OrganismStachyurus praecox
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

Han,Chem.Pharm.Bull.,43,(1995),2109