input word = C00051402

Metabolite InformationStructural formula
Name Macrocalyxoformin B
Formula C20H24O5
Mw 344.16237388
CAS RN 102292-02-4
C_ID C00051402
InChIKey QRZAIOQXVJRCBS-UHFFFAOYNA-N
InChICode InChI=1S/C20H24O5/c1-10-11-3-4-12-19(7-11,15(10)21)17(22)25-13-5-6-18(2)8-23-16-14(18)20(12,13)9-24-16/h11-14,16H,1,3-9H2,2H3
SMILES C=C1C(=O)C23CC1CCC2C12COC4OCC(C)(CCC1OC3=O)C42
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon macrocalyx Ref.
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