input word = C00014564

Metabolite InformationStructural formula
Name Sanggenol M
Formula C45H46O11
Mw 762.30401231
CAS RN 205174-33-0
C_ID C00014564 ,
InChIKey VENYMAZORMHPCP-OOUVFDGINA-N
InChICode InChI=1S/C45H46O11/c1-22(2)6-5-7-24-16-31(27-12-9-25(46)18-34(27)49)40(44(54)30-14-15-33(48)29(43(30)53)11-8-23(3)4)32(17-24)41-36(51)21-39-42(45(41)55)37(52)20-38(56-39)28-13-10-26(47)19-35(28)50/h6,8-10,12-15,17-19,21,31-32,38,40,46-51,53,55H,5,7,11,16,20H2,1-4H3/t31-,32-,38+,40-/m1/s1
SMILES c1(c(c(c2c(c1)O[C@@H](CC2=O)c1c(cc(cc1)O)O)O)[C@H]1[C@@H]([C@H](CC(=C1)CCC=C(C)C)c1ccc(cc1O)O)C(=O)c1c(c(c(cc1)O)CC=C(C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMoraceaeMorus mongolica Ref.
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