input word = C00031229

Metabolite InformationStructural formula
Name Rubescensin I
(+)-Rubescensin I
Formula C20H32O4
Mw 336.23005951
CAS RN 760948-08-1
C_ID C00031229 ,
InChIKey OCSPOCDQHVVGDZ-KKHCAKNZNA-N
InChICode InChI=1S/C20H32O4/c1-12(10-21)13-4-6-15-14(18(13)24)5-7-16-19(15,2)9-8-17(23)20(16,3)11-22/h5,13,15-18,21-24H,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]([C@@H](CC1)C(=C)CO)O)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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OrganismIsodon rubescens var.rubescens
ReferenceHuang,Phytochem.,68,(2007),616