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CHEBI:198599 - NG-012

ChEBI IDCHEBI:198599
ChEBI NameNG-012
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SubmitterMetaboLights
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FormulaC32H38O15
Net Charge0
Average Mass662.641
Monoisotopic Mass662.22107
SMILESCC1Cc2cc(O)cc(O)c2C(=O)OC(C)CC(=O)OC(C)Cc2cc(O)cc(O)c2C(=O)OC(C)CC(=O)OC(CO)CC(=O)O1
InChIInChI=1S/C32H38O15/c1-15-5-19-9-21(34)11-24(36)29(19)32(42)46-18(4)8-27(39)47-23(14-33)13-28(40)44-16(2)6-20-10-22(35)12-25(37)30(20)31(41)45-17(3)7-26(38)43-15/h9-12,15-18,23,33-37H,5-8,13-14H2,1-4H3
InChIKeyQFILNQIVBJLREP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (1473982)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
NG-012 (CHEBI:198599) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
12,14,30,32-tetrahydroxy-22-(hydroxymethyl)-4,8,18,26-tetramethyl-3,7,17,21,25-pentaoxatricyclo[26.4.0.010,15]dotriaconta-1(28),10(15),11,13,29,31-hexaene-2,6,16,20,24-pentone
Manual XrefsDatabases
8230717ChemSpider