input word = C00047451

Metabolite InformationStructural formula
Name Heteroplexisolide B
(+)-Heteroplexisolide B
Formula C20H26O5
Mw 346.17802394
CAS RN 1158090-82-4
C_ID C00047451 ,
InChIKey QSKKGQVXKWAQQS-FMOSVYJINA-N
InChICode InChI=1S/C20H26O5/c1-13(2)9-17-11-16(20(23)25-17)6-4-5-14(3)18(21)8-7-15-10-19(22)24-12-15/h6,9-10,17-18,21H,3-5,7-8,11-12H2,1-2H3/b16-6+/t17-,18-/m1/s1
SMILES C\1(=C/CCC(=C)[C@@H](CCC2=CC(=O)OC2)O)/C[C@H](OC1=O)C=C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHeteroplexis microcephala Ref.
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