input word = C00063804

Metabolite InformationStructural formula
Name Salvadione C
Formula C30H40O5
Mw 480.28757439
CAS RN 1338576-67-2
C_ID C00063804
InChIKey FOQBZJXMAZZAIA-OCTHRFJTSA-N
InChICode InChI=1S/C30H40O5/c1-7-18-13-19-21-25(6,33)16-34-30-23(32)29(21,17(2)3)22(31)26(14-18)12-9-20-24(4,5)10-8-11-27(20,35-30)15-28(19,26)30/h7,13,17,19-21,33H,1,8-12,14-16H2,2-6H3/t19-,20+,21?,25-,26+,27+,28+,29?,30+/m1/s1
SMILES C=CC1=CC2C3C(C)(O)COC45OC67CCCC(C)(C)C6CCC(C1)(C(=O)C3(C(C)C)C4=O)C25C7
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia hydrangea Ref.
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