input word = C00044425

Metabolite InformationStructural formula
Name 18-Hydroxy-cis-clerodan-3-ene-15-oic acid
Formula C20H34O3
Mw 322.25079495
CAS RN 82178-20-9
C_ID C00044425 ,
InChIKey FVXAJZRADGVLQM-QTMUBNLJNA-N
InChICode InChI=1S/C20H34O3/c1-14(12-18(22)23)8-10-19(3)15(2)9-11-20(4)16(13-21)6-5-7-17(19)20/h6,14-15,17,21H,5,7-13H2,1-4H3,(H,22,23)/t14-,15+,17+,19-,20+/m0/s1
SMILES C[C@@H](CC[C@@]1(C)[C@H](C)CC[C@]2(C)C(CO)=CCC[C@H]12)CC(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCistaceaeCistus monspeliensis Ref.
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OrganismCistus monspeliensis
ReferenceKalpouzakis,J.Nat.Prod.,66,(2003),316