input word = C00040333

Metabolite InformationStructural formula
Name Sorbifolivaltrate A
Formula C25H34O8
Mw 462.22536806
CAS RN 1000412-72-5
C_ID C00040333 ,
InChIKey WZDQZUZGMJUYFF-MARNFMQSNA-N
InChICode InChI=1S/C25H34O8/c1-14(2)7-20(26)29-11-17-12-30-24(33-22(28)9-16(5)6)23-18(17)10-19(25(23)13-31-25)32-21(27)8-15(3)4/h9-10,12,14-15,19,23-24H,7-8,11,13H2,1-6H3/t19-,23+,24-,25+/m0/s1
SMILES CC(C)=CC(=O)O[C@@H]1OC=C(COC(=O)CC(C)C)C2=C[C@H](OC(=O)CC(C)C)[C@]3(CO3)[C@H]21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana sorbifolia Ref.
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