input word = C00033162

Metabolite InformationStructural formula
Name Marrubinone B
(+)-Marrubinone B:Polyodonin
Formula C20H26O5
Mw 346.17802394
CAS RN 170384-78-8
C_ID C00033162 ,
InChIKey JJFPECOASGDKQV-HNLQWBKBNA-N
InChICode InChI=1S/C20H26O5/c1-12-9-13-15-17(2,16(22)24-13)5-4-6-18(15,3)20(12)10-14(21)19(25-20)7-8-23-11-19/h7-8,12-13,15H,4-6,9-11H2,1-3H3/t12-,13-,15+,17+,18+,19-,20-/m1/s1
SMILES C1C[C@]2([C@H]3[C@](C1)([C@]1([C@@H](C[C@H]3OC2=O)C)CC(=O)[C@@]2(O1)C=COC2)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeMarrubium globosum ssp. globosum Ref.
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