input word = C00054653

Metabolite InformationStructural formula
Name BL I
Formula C30H24O13
Mw 592.12169086
CAS RN 112209-51-5
C_ID C00054653
InChIKey LSEKLPKUWRDLKY-UHFFFAOYSA-N
InChICode InChI=1S/C30H24O13/c1-13(31)37-20-9-7-19(8-10-20)25-27(40-16(4)34)29(42-18(6)36)26-21-11-23(38-14(2)32)24(39-15(3)33)12-22(21)43-30(26)28(25)41-17(5)35/h7-12H,1-6H3
SMILES CC(=O)Oc1ccc(-c2c(OC(C)=O)c(OC(C)=O)c3c(oc4cc(OC(C)=O)c(OC(C)=O)cc43)c2OC(C)=O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Boletopsis leucomelas Ref.
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OrganismBoletopsis leucomelas
ReferenceJagers, E. et al., Z. Naturforsch., B, 1987, 42, 1349 (acetates, isol)