input word = C00061833

Metabolite InformationStructural formula
Name Orthosiphol S
Formula C34H36O9
Mw 588.23593275
CAS RN 460741-48-4
C_ID C00061833
InChIKey WYFRRYWIUVEOAM-HKEZYMHFSA-N
InChICode InChI=1S/C34H36O9/c1-6-32(4)18-21(35)25-33(5)22(17-23(36)34(25,41)30(32)40)31(2,3)26(42-28(38)19-13-9-7-10-14-19)24(37)27(33)43-29(39)20-15-11-8-12-16-20/h6-16,22-23,25-27,36,41H,1,17-18H2,2-5H3/t22-,23+,25+,26+,27-,32-,33-,34-/m0/s1
SMILES C=CC1(C)CC(=O)C2C(O)(C1=O)C(O)CC1C(C)(C)C(OC(=O)c3ccccc3)C(=O)C(OC(=O)c3ccccc3)C12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeOrthosiphon stamineus Ref.
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