input word = C00031230

Metabolite InformationStructural formula
Name Rubescensin J
(-)-Rubescensin J
Formula C20H30O3
Mw 318.21949482
CAS RN 760948-09-2
C_ID C00031230 ,
InChIKey PSCMUJSYIGILPT-HMIXLFEENA-N
InChICode InChI=1S/C20H30O3/c1-12-10-23-18-13(12)4-6-15-14(18)5-7-16-19(15,2)9-8-17(22)20(16,3)11-21/h5,13,15-18,21-22H,1,4,6-11H2,2-3H3/t13-,15+,16-,17+,18+,19-,20+/m0/s1
SMILES C1[C@H]([C@]([C@@H]2[C@@](C1)([C@H]1C(=CC2)[C@H]2[C@@H](CC1)C(=C)CO2)C)(C)CO)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon parvifolius Ref.
PlantaeLabiataeIsodon rubescens var.rubescens Ref.
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