input word = C00029785

Metabolite InformationStructural formula
Name Bacosine
Formula C30H48O3
Mw 456.3603454
CAS RN 198014-94-7
C_ID C00029785 ,
InChIKey CLOUCVRNYSHRCF-BOQNNXBFNA-N
InChICode InChI=1S/C30H48O3/c1-18(2)19-10-13-27(5)16-17-30(25(32)33)20(24(19)27)8-9-22-28(6)14-12-23(31)26(3,4)21(28)11-15-29(22,30)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23+,24-,27+,28-,29+,30+/m0/s1
SMILES C1[C@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2([C@H](CC1)[C@H]1[C@@](CC2)(CC[C@H]1C(=C)C)C)C(=O)O)C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaeBacopa monnieri Ref.
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