input word = C00036801

Metabolite InformationStructural formula
Name beta-Methylcubebin
beta-O-Methylcubebin
Formula C21H22O6
Mw 370.14163844
CAS RN 173653-83-3
C_ID C00036801 ,
InChIKey UUUXPUGZNDRYSV-XJEGZFCQNA-N
InChICode InChI=1S/C21H22O6/c1-22-21-16(7-14-3-5-18-20(9-14)27-12-25-18)15(10-23-21)6-13-2-4-17-19(8-13)26-11-24-17/h2-5,8-9,15-16,21H,6-7,10-12H2,1H3/t15-,16+,21+/m0/s1
SMILES COC1OC[C@H](Cc2ccc3c(c2)OCO3)[C@H]1Cc1ccc2c(c1)OCO2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeHypoestes purpurea Ref.
PlantaeAsteraceaeLychnophora ericoides Ref.
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OrganismHypoestes purpurea
ReferenceShen, et al., Journal of Natural Products, 67, (2004), 1947