input word = C00032098

Metabolite InformationStructural formula
Name Orthosiphol H
(-)-Orthosiphol H
Formula C40H46O12
Mw 718.29892694
CAS RN 238088-77-2
C_ID C00032098 ,
InChIKey MKJGZDLMXUGLBP-SIUJPKMZNA-N
InChICode InChI=1S/C40H46O12/c1-9-38(7)21-27(51-34(44)25-16-12-10-13-17-25)31-39(8)28(20-29(48-22(2)41)40(31,47)36(38)46)37(5,6)32(50-24(4)43)30(49-23(3)42)33(39)52-35(45)26-18-14-11-15-19-26/h9-19,27-33,47H,1,20-21H2,2-8H3/t27-,28+,29-,30+,31-,32-,33+,38+,39+,40+/m1/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[C@H]1OC(=O)c1ccccc1)(C)C=C)O)C)(C)C)OC(=O)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeOrthosiphon stamineus Ref.
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