input word = C00023411

Metabolite InformationStructural formula
Name 3alpha-Angeloyloxy-18-hydroxy-ent-labd-8(17)-13E-dien-15-oic acid
Formula C25H38O5
Mw 418.27192432
CAS RN 99624-40-5
C_ID C00023411 ,
InChIKey RFGKNIQKUIOMJZ-CSFACPQFNA-N
InChICode InChI=1S/C25H38O5/c1-7-17(3)23(29)30-21-12-13-24(5)19(10-8-16(2)14-22(27)28)18(4)9-11-20(24)25(21,6)15-26/h7,14,19-21,26H,4,8-13,15H2,1-3,5-6H3,(H,27,28)/b16-14+,17-7-/t19-,20+,21-,24-,25-/m1/s1
SMILES C1[C@H]([C@@]([C@@H]2[C@](C1)([C@@H](C(=C)CC2)CC/C(=C/C(=O)O)/C)C)(CO)C)OC(=O)/C(=C\C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGutierrezia solbrigii Ref.
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