input word = C00033278

Metabolite InformationStructural formula
Name Orthosiphonone A
(-)-Orthosiphonone A
Formula C38H42O11
Mw 674.27271219
CAS RN 237417-08-2
C_ID C00033278 ,
InChIKey VGFQEWWZGREADO-WDDUEZDANA-N
InChICode InChI=1S/C38H42O11/c1-8-36(6)20-25(41)29-37(7)26(19-27(46-21(2)39)38(29,45)34(36)44)35(4,5)30(48-32(42)23-15-11-9-12-16-23)28(47-22(3)40)31(37)49-33(43)24-17-13-10-14-18-24/h8-18,26-31,45H,1,19-20H2,2-7H3/t26-,27+,28-,29+,30+,31-,36-,37-,38-/m0/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@@](CC1=O)(C)C=C)O)C)(C)C)OC(=O)c1ccccc1)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeOrthosiphon aristatus Ref.
PlantaeLabiataeOrthosiphon stamineus Ref.
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OrganismOrthosiphon aristatus
ReferenceOhashi,Chem.Pharm.Bull.,48,(2000),433