input word = C00039988

Metabolite InformationStructural formula
Name Phelligridin I
Formula C33H20O13
Mw 624.09039073
CAS RN 935684-28-9
C_ID C00039988 ,
InChIKey ZNLSHKJBXWCRKW-CLLRDSTBSA-N
InChICode InChI=1S/C33H20O13/c34-21-6-2-14(7-22(21)35)1-4-16-9-27(40)29(32(42)44-16)18-11-24(37)23(36)8-15(18)3-5-17-10-28-30(33(43)45-17)19-12-25(38)26(39)13-20(19)31(41)46-28/h1-13,34-40H/b4-1+,5-3+
SMILES c1(c(c(=O)oc(c1)/C=C/c1ccc(c(c1)O)O)c1c(cc(c(c1)O)O)/C=C/c1oc(=O)c2c(c1)oc(=O)c1c2cc(c(c1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiHymenochaetaceaePhellinus igniarius Ref.
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