input word = C00000877

Metabolite InformationStructural formula
Name ent-7alpha-Hydroxykaur-16-en-19-oic acid
Formula C20H30O3
Mw 318.21949482
CAS RN 21435-01-8
C_ID C00000877 ,
InChIKey KMLXVEXJZSTMBV-RAFHMICINA-N
InChICode InChI=1S/C20H30O3/c1-12-10-20-11-13(12)5-6-14(20)18(2)7-4-8-19(3,17(22)23)15(18)9-16(20)21/h13-16,21H,1,4-11H2,2-3H3,(H,22,23)/t13-,14+,15+,16+,18+,19-,20+/m1/s1
SMILES C1C[C@@]([C@@H]2[C@@](C1)([C@H]1[C@@]3([C@H](C2)O)C[C@@H](CC1)C(=C)C3)C)(C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeXylopia aethiopica Ref.
PlantaeCruciferaeArabidopsis thaliana Ref.
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