input word = C00023509

Metabolite InformationStructural formula
Name ent-3,13(16),14-Clerodtrien-17-oic acid
Infuscaic acid
Formula C20H30O2
Mw 302.2245802
CAS RN 125002-94-0
C_ID C00023509 ,
InChIKey IDFBKACEWOZHRY-YWTSGMDRNA-N
InChICode InChI=1S/C20H30O2/c1-6-14(2)10-12-20(5)16(18(21)22)11-13-19(4)15(3)8-7-9-17(19)20/h6,8,16-17H,1-2,7,9-13H2,3-5H3,(H,21,22)/t16-,17-,19-,20+/m0/s1
SMILES C1C=C([C@]2([C@H](C1)[C@@]([C@@H](CC2)C(=O)O)(CCC(=C)C=C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeJungermanniaceaeJungermannia infusca Ref.
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