input word = C00034658

Metabolite InformationStructural formula
Name Rubescensin O
(-)-Rubescensin O
Formula C21H32O7
Mw 396.21480338
CAS RN 602301-96-2
C_ID C00034658 ,
InChIKey IGWYEXHQPGSZHK-USRIZFISNA-N
InChICode InChI=1S/C21H32O7/c1-9-10-5-6-11-19-12(22)7-8-18(2,3)13(19)16(25)21(26,28-17(19)27-4)20(11,14(9)23)15(10)24/h10-17,22-26H,1,5-8H2,2-4H3/t10-,11-,12-,13+,14+,15-,16-,17+,19+,20?,21+/m0/s1
SMILES C=C1[C@@H](O)[C@]23C(O)[C@H]1CC[C@H]2C12[C@H](OC)O[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon rubescens var.rubescens Ref.
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OrganismIsodon rubescens var.rubescens
ReferenceHuang,Phytochem.,68,(2007),616