input word = C00023296

Metabolite InformationStructural formula
Name Havardic acid B
Formula C20H34O3
Mw 322.25079495
CAS RN 108657-47-2
C_ID C00023296 ,
InChIKey FSAFGGVCHXFXTD-PEYXQSIJNA-N
InChICode InChI=1S/C20H34O3/c1-14(10-13-21)6-8-16-15(18(22)23)7-9-17-19(2,3)11-5-12-20(16,17)4/h7,14,16-17,21H,5-6,8-13H2,1-4H3,(H,22,23)/t14-,16+,17+,20+/m1/s1
SMILES C1CC([C@H]2[C@@](C1)([C@H](C(=CC2)C(=O)O)CC[C@H](CCO)C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGrindelia havardii Ref.
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OrganismGrindelia havardii
ReferenceJolad,Phytochem.,26,(1987),483