input word = C00011996

Metabolite InformationStructural formula
Name Zempoalin C
Formula C19H24O7
Mw 364.15220312
CAS RN 98644-41-8
C_ID C00011996 ,
InChIKey OOPKVQJFZVXGMN-UHFFFAOYNA-N
InChICode InChI=1S/C19H24O7/c1-6-18(5)13-11(24-15(20)8(2)3)10-9(4)16(21)25-12(10)14(18)26-17(22)19(13)7-23-19/h6,8,10-14,17,22H,1,4,7H2,2-3,5H3/t10-,11-,12-,13-,14+,17+,18-,19-/m1/s1
SMILES [C@@H]12[C@@H](OC(=O)C1=C)[C@@H]1O[C@@H]([C@@]3([C@H]([C@@H]2OC(=O)C(C)C)[C@@]1(C)C=C)OC3)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeVerbesina seattonii Ref.
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OrganismVerbesina seattonii
ReferenceOrtega,Chem.Lett.,24,(1985),1755