input word = C00064221

Metabolite InformationStructural formula
Name Salvadione A
Formula C30H42O4
Mw 466.30830983
CAS RN 252032-72-7
C_ID C00064221
InChIKey LKTXGNMUYJAARM-DPKWNWGXSA-N
InChICode InChI=1S/C30H42O4/c1-17(2)15-20-22-19(5)9-13-26-14-10-21-25(6,7)11-8-12-27(21)16-28(22,26)30(33,34-27)24(32)29(20,18(3)4)23(26)31/h9,15,18,20-22,33H,8,10-14,16H2,1-7H3/t20-,21+,22-,26-,27+,28+,29-,30+/m1/s1
SMILES CC(C)=CC1C2C(C)=CCC34CCC5C(C)(C)CCCC56CC23C(O)(O6)C(=O)C1(C(C)C)C4=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia bucharica Ref.
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