input word = C00012119

Metabolite InformationStructural formula
Name 15-Deoxybudlein A
Atripliciolide angelate
Formula C20H22O6
Mw 358.14163844
CAS RN 78685-07-1
C_ID C00012119 ,
InChIKey QATUWZPYBIHFFR-YHNOZVHCNA-N
InChICode InChI=1S/C20H22O6/c1-6-10(2)18(22)25-15-9-20(5)16(21)8-13(26-20)11(3)7-14-17(15)12(4)19(23)24-14/h6-8,14-15,17H,4,9H2,1-3,5H3/b10-6-,11-7-/t14-,15-,17+,20-/m1/s1
SMILES [C@@]12(C[C@H]([C@@H]3[C@@H](/C=C(\C(=CC2=O)O1)/C)OC(=O)C3=C)OC(=O)/C(=C\C)/C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCalea lantanoides Ref.
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OrganismCalea lantanoides
ReferenceVichnewski,Phytochem.21,(1982),464