input word = C00049573

Metabolite InformationStructural formula
Name Heliobuphthalmin
Formula C22H22O8
Mw 414.13146768
CAS RN 66547-91-9
C_ID C00049573 ,
InChIKey YKLDSNGNWJIDLS-UHFFFAOYNA-N
InChICode InChI=1S/C22H22O8/c1-25-21(23)15(7-13-3-5-17-19(9-13)29-11-27-17)16(22(24)26-2)8-14-4-6-18-20(10-14)30-12-28-18/h3-6,9-10,15-16H,7-8,11-12H2,1-2H3/t15-,16+
SMILES COC(=O)C(Cc1ccc2c(c1)OCO2)C(Cc1ccc2c(c1)OCO2)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeJusticia ciliata Ref.
PlantaeAsteraceaeHeliopsis buphthalmoides Ref.
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