input word = C00064076

Metabolite InformationStructural formula
Name Valeriananoid D
Formula C25H34O5
Mw 414.2406242
CAS RN 1897442-24-8
C_ID C00064076
InChIKey QKQAJRINIXYCJO-CFYNOHEYSA-N
InChICode InChI=1S/C25H34O5/c1-15-10-11-25(28)23(2,3)18-13-17(15)24(25,4)14-21(18)30-22(27)9-7-16-6-8-19(26)20(12-16)29-5/h6-9,12,15,17-18,21,26,28H,10-11,13-14H2,1-5H3/b9-7+/t15-,17-,18-,21-,24-,25+/m0/s1
SMILES COc1cc(C=CC(=O)OC2CC3(C)C4CC2C(C)(C)C3(O)CCC4C)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana jatamansi Ref.
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