input word = C00032101

Metabolite InformationStructural formula
Name Orthosiphol N
(-)-Orthosiphol N
Formula C36H40O10
Mw 632.2621475
CAS RN 345905-37-5
C_ID C00032101 ,
InChIKey LFPSUBPBKLUQAL-BCMOTRRCNA-N
InChICode InChI=1S/C36H40O10/c1-7-34(5)19-23(38)27-35(6)24(18-25(39)36(27,43)32(34)42)33(3,4)28(45-30(40)21-14-10-8-11-15-21)26(44-20(2)37)29(35)46-31(41)22-16-12-9-13-17-22/h7-17,24-29,39,43H,1,18-19H2,2-6H3/t24-,25+,26-,27+,28+,29-,34-,35-,36-/m0/s1
SMILES C=C[C@@]1(C)CC(=O)[C@H]2[C@](O)(C1=O)[C@H](O)C[C@H]1C(C)(C)[C@H](OC(=O)c3ccccc3)[C@H](OC(C)=O)[C@H](OC(=O)c3ccccc3)[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeOrthosiphon stamineus Ref.
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