input word = C00012768

Metabolite InformationStructural formula
Name Rupestrol cinnamate
Formula C24H34O6
Mw 418.23553882
CAS RN 35938-59-1
C_ID C00012768 ,
InChIKey OQYXNMAUHPTYLJ-MVEUCXDTNA-N
InChICode InChI=1S/C24H34O6/c1-15(2)17-13-19(26)23(3)18(25)11-12-24(29,22(23)21(17)28)14-30-20(27)10-9-16-7-5-4-6-8-16/h4-10,15,17-19,21-22,25-26,28-29H,11-14H2,1-3H3/b10-9+/t17-,18-,19+,21+,22-,23-,24+/m0/s1
SMILES [C@H]1([C@@]2([C@@H]([C@](CC1)(O)COC(=O)/C=C/c1ccccc1)[C@@H]([C@@H](C[C@H]2O)C(C)C)O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeVerbesina rupestris Ref.
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OrganismVerbesina rupestris
ReferenceBox,Phytochem.,16,(1977),987