input word = C00040336

Metabolite InformationStructural formula
Name Sorbifolivaltrate D
Formula C28H40O10
Mw 536.2621475
CAS RN 1000588-29-3
C_ID C00040336 ,
InChIKey YDYHOAALGZGNKR-UDRNDKELNA-N
InChICode InChI=1S/C28H40O10/c1-8-18(6)11-25(32)37-22-12-21-20(13-34-19(7)29)14-35-27(38-24(31)10-17(4)5)26(21)28(22,33)15-36-23(30)9-16(2)3/h10,12,14,16,18,22,26-27,33H,8-9,11,13,15H2,1-7H3/t18-,22-,26+,27-,28+/m0/s1
SMILES CCC(C)CC(=O)O[C@H]1C=C2C(COC(C)=O)=CO[C@@H](OC(=O)C=C(C)C)[C@@H]2[C@@]1(O)COC(=O)CC(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana sorbifolia Ref.
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