input word = C00044973

Metabolite InformationStructural formula
Name Orthosiphol C
(-)-Orthosiphol C
Formula C29H35NO8
Mw 525.2362671
CAS RN 426822-86-8
C_ID C00044973 ,
InChIKey MPPSSZWVJZPPHO-TYKATXMHNA-N
InChICode InChI=1S/C29H35NO8/c1-7-27(5)16-19(38-23(32)18-11-9-8-10-12-18)22-28(6,13-14-30)20(26(3,4)25(34)35)15-21(37-17(2)31)29(22,36)24(27)33/h7-12,19-22,36H,1,13,15-16H2,2-6H3,(H,34,35)/t19-,20+,21-,22-,27+,28+,29+/m1/s1
SMILES [C@]1(C[C@H]([C@H]2[C@](C1=O)([C@@H](C[C@H]([C@@]2(CC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-His
Organism
Kingdom Family Species Reference
PlantaeLabiataeOrthosiphon stamineus Ref.
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OrganismOrthosiphon stamineus
ReferenceAwale,J.Nat.Prod.,66,(2003),255