input word = C00033161

Metabolite InformationStructural formula
Name Marrubiglobosin
(+)-Marrubiglobosin
Formula C20H30O5
Mw 350.20932407
CAS RN 299924-01-9
C_ID C00033161 ,
InChIKey MRHAMHQNBQNENT-XPWNRCBUNA-N
InChICode InChI=1S/C20H30O5/c1-13-9-14(22)16-17(2,11-21)5-4-6-18(16,3)20(13)10-15(23)19(25-20)7-8-24-12-19/h7-8,13-14,16,21-22H,4-6,9-12H2,1-3H3/t13-,14-,16+,17-,18+,19-,20-/m1/s1
SMILES C1C[C@@]([C@H]2[C@](C1)([C@]1([C@@H](C[C@H]2O)C)CC(=O)[C@@]2(O1)C=COC2)C)(CO)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeMarrubium globosum ssp. globosum Ref.
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