input word = C00032099

Metabolite InformationStructural formula
Name Orthosiphol K
(-)-Orthosiphol K
Formula C36H42O10
Mw 634.27779756
CAS RN 345905-34-2
C_ID C00032099 ,
InChIKey XZOHHNDEJRVJSL-VCVZWFOKNA-N
InChICode InChI=1S/C36H42O10/c1-7-34(5)19-23(45-30(40)21-14-10-8-11-15-21)27-35(6)24(18-25(44-20(2)37)36(27,43)32(34)42)33(3,4)28(39)26(38)29(35)46-31(41)22-16-12-9-13-17-22/h7-17,23-29,38-39,43H,1,18-19H2,2-6H3/t23-,24+,25-,26+,27-,28-,29+,34+,35+,36+/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)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeOrthosiphon stamineus Ref.
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