input word = C00041110

Metabolite InformationStructural formula
Name Samarcandone
Formula C24H30O5
Mw 398.20932407
CAS RN 28699-17-4
C_ID C00041110 ,
InChIKey KWFSFXRPFGONDD-NOMHPMBONA-N
InChICode InChI=1S/C24H30O5/c1-22(2)18-9-12-24(4,27)19(23(18,3)11-10-20(22)25)14-28-16-7-5-15-6-8-21(26)29-17(15)13-16/h5-8,13,18-19,27H,9-12,14H2,1-4H3/t18-,19+,23+,24+/m0/s1
SMILES CC1(C)C(=O)CC[C@]2(C)[C@@H](COc3ccc4ccc(=O)oc4c3)[C@](C)(O)CC[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeFerula sinaica Ref.
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