input word = C00003568

Metabolite InformationStructural formula
Name Convallamarogenin
Formula C27H42O4
Mw 430.30830983
CAS RN 16683-27-5
C_ID C00003568 ,
InChIKey XLHFBXMTUNORSV-LOXMUFBINA-N
InChICode InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h16-24,28-29H,1,5-14H2,2-4H3/t16-,17+,18+,19+,20-,21-,22-,23+,24-,25-,26-,27+/m0/s1
SMILES C1[C@@H](C[C@@H]2[C@]([C@@H]1O)([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@@H]1[C@H](C2)O[C@]2([C@H]1C)OCC(=C)CC2)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvallariaceaeConvallaria majalis Ref.
--Reineckia carnes Ref.
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