input word = C00045074

Metabolite InformationStructural formula
Name Sorocein M
(+)-Sorocein M
Formula C39H40O10
Mw 668.2621475
CAS RN 507471-25-2
C_ID C00045074 ,
InChIKey MKVXRXTVDGOLCF-NKMVCNSYNA-N
InChICode InChI=1S/C39H40O10/c1-20-14-28(25-9-8-24(41)19-32(25)44)35(38(48)27-10-11-30(42)26(37(27)47)12-13-39(2,3)49)29(15-20)36-33(45)16-21(17-34(36)46)4-5-22-6-7-23(40)18-31(22)43/h4-11,15-19,28-29,35,40-47,49H,12-14H2,1-3H3/b5-4+/t28-,29+,35-/m1/s1
SMILES CC1=C[C@H](c2c(O)cc(/C=C/c3ccc(O)cc3O)cc2O)[C@H](C(=O)c2ccc(O)c(CCC(C)(C)O)c2O)[C@@H](c2ccc(O)cc2O)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMoraceaeSorocea ilicifolia Ref.
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