input word = C00040335

Metabolite InformationStructural formula
Name Sorbifolivaltrate C
Formula C30H46O11
Mw 582.30401231
CAS RN 1000412-73-6
C_ID C00040335 ,
InChIKey BGMOQLYMKVKEJG-NLJQSDJCNA-N
InChICode InChI=1S/C30H46O11/c1-17(2)9-23(31)39-16-30(36)22(40-24(32)10-18(3)4)12-21-20(14-37-26(34)13-29(7,8)35)15-38-28(27(21)30)41-25(33)11-19(5)6/h12,15,17-19,22,27-28,35-36H,9-11,13-14,16H2,1-8H3/t22-,27+,28-,30+/m0/s1
SMILES O1C=C(C2=C[C@@H]([C@]([C@H]2[C@@H]1OC(=O)CC(C)C)(O)COC(=O)CC(C)C)OC(=O)CC(C)C)COC(=O)CC(O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana sorbifolia Ref.
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