input word = C00023394

Metabolite InformationStructural formula
Name ent-15,16-Epoxy-2beta,3beta,19-trihydroxy-18-nor-13(16),14-labdadiene-7,12-dione
Formula C19H26O6
Mw 350.17293856
CAS RN 93236-23-8
C_ID C00023394 ,
InChIKey MCOITHOTXWKUSC-IBJQGCCRNA-N
InChICode InChI=1S/C19H26O6/c1-10-13(5-16(22)11-3-4-25-9-11)19(2)7-17(23)18(24)12(8-20)14(19)6-15(10)21/h3-4,9-10,12-14,17-18,20,23-24H,5-8H2,1-2H3/t10-,12+,13-,14-,17-,18+,19+/m1/s1
SMILES [C@@H]1([C@H]([C@H]([C@@H]2[C@@](C1)([C@@H]([C@H](C(=O)C2)C)CC(=O)c1cocc1)C)CO)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAustroeupatorium inulifolium Ref.
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OrganismAustroeupatorium inulifolium
ReferenceOberti,Phytochem.,23,(1984),2003