input word = C00061551

Metabolite InformationStructural formula
Name ent-17-Hydroxykaur-15-en-19-oic acid
Formula C20H30O3
Mw 318.21949482
CAS RN 35030-38-7
C_ID C00061551
InChIKey XEQHVCXFKPCQNM-LEUKZYDJSA-N
InChICode InChI=1S/C20H30O3/c1-18-7-3-8-19(2,17(22)23)15(18)6-9-20-10-13(4-5-16(18)20)14(11-20)12-21/h11,13,15-16,21H,3-10,12H2,1-2H3,(H,22,23)/t13-,15+,16+,18-,19-,20+/m1/s1;InChI=1S/C20H30O3/c1-18-7-3-8-19(2,17(22)23)15(18)6-9-20-10-13(4-5-16(18)20)14(11-20)12-21/h11,13,15-16,21H,3-10,12H2,1-2H3,(H,22,23);InChI=1S/C20H30O3/c1-18-7-3-8-19(2,17(22)23)15(18)6-9-20-10-13(4-5-16(18)20)14(11-20)12-21/h11,13,15-16,21H,3-10,12H2,1-2H3,(H,22,23)/t13-,15-,16-,18+,19+,20-/m0/s1;InChI=1S/C20H30O3/c1-18-7-3-8-19(2,17(22)23)15(18)6-9-20-10-13(4-5-16(18)20)14(11-20)12-21/h11,13,15-16,21H,3-10,12H2,1-2H3,(H,22,23)/t13?,15?,16?,18-,19-,20?/m1/s1
SMILES CC1(C(=O)O)CCCC2(C)C3CCC4CC3(C=C4CO)CCC12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona glabra Ref.
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OrganismAnnona glabra
Referencehttps://doi.org/10.1021/np0000320