input word = C00044976

Metabolite InformationStructural formula
Name Orthosiphol R
(-)-Orthosiphol R
Formula C38H44O12
Mw 692.28327687
CAS RN 460741-47-3
C_ID C00044976 ,
InChIKey UVLMOXBOUWFDIG-ZVFXUWNENA-N
InChICode InChI=1S/C38H44O12/c1-8-36(6)29(42)27(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)30(48-21(3)40)26(41)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@@H]1([C@H](C([C@H]2[C@]([C@H]1OC(=O)c1ccccc1)([C@@H]1[C@@]([C@@H](C2)OC(=O)C)(C(=O)[C@]([C@H]([C@H]1OC(=O)c1ccccc1)O)(C=C)C)O)C)(C)C)OC(=O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeOrthosiphon stamineus Ref.
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