input word = C00023404

Metabolite InformationStructural formula
Name 3alpha-Hydroxyayapanonic acid
Formula C19H30O4
Mw 322.21440945
CAS RN 74513-96-5
C_ID C00023404 ,
InChIKey TVXHJNAIUTYXAK-LLTMVPBLNA-N
InChICode InChI=1S/C19H30O4/c1-12(11-17(22)23)5-6-13-14(20)7-8-15-18(2,3)16(21)9-10-19(13,15)4/h11,13,15-16,21H,5-10H2,1-4H3,(H,22,23)/b12-11-/t13-,15-,16-,19+/m1/s1
SMILES C/C(=C/C(=O)O)CC[C@@H]1C(=O)CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAyapana amygdalina Ref.
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