input word = C00054669

Metabolite InformationStructural formula
Name Agavegenin A
Formula C27H44O6
Mw 464.31378914
CAS RN 644981-68-0
C_ID C00054669
InChIKey LWFDEODDNLNQEZ-QWVOMTLKSA-N
InChICode InChI=1S/C27H44O6/c1-13-7-22(31)27(32-12-13)14(2)23-21(33-27)10-17-16-9-19(29)18-8-15(28)5-6-25(18,3)24(16)20(30)11-26(17,23)4/h13-24,28-31H,5-12H2,1-4H3/t13-,14+,15+,16+,17+,18-,19+,20-,21+,22+,23+,24-,25+,26+,27+/m1/s1
SMILES C[C@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5C[C@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5[C@H](O)C[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAgavaceaeAgave americana Ref.
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