input word = C00012767

Metabolite InformationStructural formula
Name Rupestrinol
[1S-(1alpha,4beta,4abeta,5beta,6beta,8aalpha)]-Decahydro-4-(hydroxymethyl)-8a-methyl-6-(1-methylethyl)-1,4,5-naphthalenetriol
Formula C15H28O4
Mw 272.19875938
CAS RN 64305-95-9
C_ID C00012767 ,
InChIKey MPIMWQFKDRBXGO-PTRSXMEUNA-N
InChICode InChI=1S/C15H28O4/c1-9(2)10-4-6-14(3)11(17)5-7-15(19,8-16)13(14)12(10)18/h9-13,16-19H,4-8H2,1-3H3/t10-,11-,12+,13-,14+,15+/m0/s1
SMILES [C@H]1([C@@]2([C@@H]([C@](CC1)(O)CO)[C@@H]([C@@H](CC2)C(C)C)O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeVerbesina rupestris Ref.
PlantaeVerbenaceaeVerbena rupestris Ref.
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