input word = C00005036

Metabolite InformationStructural formula
Name Haplopappin
Formula C25H22O7
Mw 434.13655306
CAS RN 99631-87-5
C_ID C00005036 ,
InChIKey BGGFKBWQZUFYHZ-UHFFFAOYNA-N
InChICode InChI=1S/C25H22O7/c1-13(14-4-8-16(26)9-5-14)20-18(27)12-19(28)21-22(29)25(31-3)23(32-24(20)21)15-6-10-17(30-2)11-7-15/h4-13,26-28H,1-3H3/t13-/m0/s1
SMILES c1(cc(c2c(c1[C@H](c1ccc(cc1)O)C)oc(c(c2=O)OC)c1ccc(cc1)OC)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHaplopappus foliosus Ref.
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