input word = C00038168

Metabolite InformationStructural formula
Name 15-Hydroxy-16-oxo-15,16H-hardwickiic acid
Formula C20H28O5
Mw 348.193674
CAS RN 264601-47-0
C_ID C00038168 ,
InChIKey RHLDHPZFWIWCSQ-ZXQJYNEINA-N
InChICode InChI=1S/C20H28O5/c1-12-7-9-20(3)14(17(22)23)5-4-6-15(20)19(12,2)10-8-13-11-16(21)25-18(13)24/h5,11-12,15-16,21H,4,6-10H2,1-3H3,(H,22,23)/t12-,15-,16-,19+,20+/m1/s1
SMILES C1C=C([C@]2([C@H](C1)[C@]([C@@H](CC2)C)(CCC1=C[C@@H](OC1=O)O)C)C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGrangea maderaspatana Ref.
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OrganismGrangea maderaspatana
ReferenceKrishna,Phytochem.,52,(1999),1341