input word = C00044977

Metabolite InformationStructural formula
Name Orthosiphol T
(-)-Orthosiphol T
Formula C36H42O10
Mw 634.27779756
CAS RN 460741-49-5
C_ID C00044977 ,
InChIKey JSXWPPDJFPNHQS-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(38)36(27,43)32(34)42)33(3,4)28(39)26(44-20(2)37)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=C[C@@]1(C)C[C@@H](OC(=O)c2ccccc2)[C@H]2[C@](O)(C1=O)[C@H](O)C[C@H]1C(C)(C)[C@H](O)[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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