input word = C00002589

Metabolite InformationStructural formula
Name Austrobailignan 1
Formula C21H18O7
Mw 382.10525293
CAS RN 55955-07-2
C_ID C00002589 ,
InChIKey GROYKMASYUMFER-MJUJRNRDNA-N
InChICode InChI=1S/C21H18O7/c1-23-16-4-11(5-17-20(16)28-9-27-17)18-13-6-15-14(25-8-26-15)3-10(13)2-12-7-24-21(22)19(12)18/h3-6,12,18-19H,2,7-9H2,1H3/t12-,18+,19-/m0/s1
SMILES c12c(cc3c(c1)OCO3)C[C@@H]1[C@@H]([C@@H]2c2cc(c3c(c2)OCO3)OC)C(=O)OC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAustrobaileyaceaeAustrobaileya maculata Ref.
PlantaeAustrobaileyaceaeAustrobaileya scandens Ref.
PlantaeRutaceaeAmyris pinnata Ref.
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