input word = C00016830

Metabolite InformationStructural formula
Name Xanthoquinodin B1
Formula C31H24O11
Mw 572.13186161
CAS RN 150999-74-9
C_ID C00016830 ,
InChIKey RRYHALMBLVCGCF-UHFFFAOYNA-N
InChICode InChI=1S/C31H24O11/c1-11-7-14-20(16(33)8-11)25(37)23-24(36)13-5-6-30(23,28(14)39)10-12-9-17(34)21-26(38)22-15(32)3-4-18(35)31(22,29(40)41-2)42-27(21)19(12)13/h5-9,13,18,32-35,37H,3-4,10H2,1-2H3/t13-,18+,30?,31-/m0/s1
SMILES COC(=O)C12Oc3c(c(O)cc4c3C3C=CC5(C4)C(=O)c4cc(C)cc(O)c4C(O)=C5C3=O)C(=O)C1=C(O)CCC2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Humicola sp. FO-888 Ref.
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