input word = C00046252

Metabolite InformationStructural formula
Name Orthosiphol L
(-)-Orthosiphol L
Formula C38H44O12
Mw 692.28327687
CAS RN 345905-35-3
C_ID C00046252 ,
InChIKey DACRLLRYBIUMQB-SKGVOPEKNA-N
InChICode InChI=1S/C38H44O12/c1-8-36(6)30(42)26(49-32(43)22-15-11-9-12-16-22)28-37(7)24(19-25(47-20(2)39)38(28,46)34(36)45)35(4,5)29(41)27(48-21(3)40)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-/m0/s1
SMILES C=C[C@]1(C)C(=O)[C@]2(O)C(OC(C)=O)C[C@H]3C(C)(C)[C@H](O)[C@H](OC(C)=O)[C@H](OC(=O)c4ccccc4)[C@]3(C)[C@H]2[C@H](OC(=O)c2ccccc2)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeOrthosiphon stamineus Ref.
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