input word = C00047452

Metabolite InformationStructural formula
Name Heteroplexisolide C
(+)-Heteroplexisolide C
Formula C20H26O5
Mw 346.17802394
CAS RN 1158090-84-6
C_ID C00047452 ,
InChIKey JUASWHOQXQTCSB-OPERKCFLNA-N
InChICode InChI=1S/C20H26O5/c1-13(2)10-17-19(22)16(20(23)25-17)9-5-7-14(3)6-4-8-15-11-18(21)24-12-15/h6,9-11,17,19,22H,4-5,7-8,12H2,1-3H3/b14-6+,16-9+/t17-,19-/m0/s1
SMILES C\1(=C/CC/C(=C/CCC2=CC(=O)OC2)/C)/[C@@H]([C@@H](OC1=O)C=C(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHeteroplexis microcephala Ref.
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