input word = C00061820

Metabolite InformationStructural formula
Name Orthosiphol P
Formula C38H44O12
Mw 692.28327687
CAS RN 451475-25-5
C_ID C00061820
InChIKey TZYOKXQYQQXUCI-BUUZRMBISA-N
InChICode InChI=1S/C38H44O12/c1-8-36(6)19-24(49-32(43)22-15-11-9-12-16-22)27-37(7)28(25(41)30(48-21(3)40)38(27,46)34(36)45)35(4,5)29(42)26(47-20(2)39)31(37)50-33(44)23-17-13-10-14-18-23/h8-18,24-31,41-42,46H,1,19H2,2-7H3/t24-,25+,26+,27-,28+,29-,30-,31+,36+,37-,38-/m1/s1
SMILES C=CC1(C)CC(OC(=O)c2ccccc2)C2C(O)(C1=O)C(OC(C)=O)C(O)C1C(C)(C)C(O)C(OC(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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