input word = C00062063

Metabolite InformationStructural formula
Name Siegeskaurolic acid
Formula C20H32O3
Mw 320.23514489
CAS RN 52645-97-3
C_ID C00062063
InChIKey HHAMKMUMKLXDFQ-UMTOMPLCSA-N
InChICode InChI=1S/C20H32O3/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/h13-16,21H,3-12H2,1-2H3,(H,22,23)/t13-,14-,15-,16-,18+,19+,20-/m0/s1;InChI=1S/C20H32O3/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/h13-16,21H,3-12H2,1-2H3,(H,22,23)/t13-,14+,15+,16+,18-,19-,20+/m1/s1;InChI=1S/C20H32O3/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/h13-16,21H,3-12H2,1-2H3,(H,22,23)
SMILES CC1(C(=O)O)CCCC2(C)C3CCC4CC3(CCC12)CC4CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona squamosa Ref.
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