EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:219910 - Harzianum A

ChEBI IDCHEBI:219910
ChEBI NameHarzianum A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H28O6
Net Charge0
Average Mass400.471
Monoisotopic Mass400.18859
SMILESCC1=CC2OC3CC(OC(=O)/C=C/C=C/C=C/C(=O)O)C(C)(C2(C)CC1)C31CO1
InChIInChI=1S/C23H28O6/c1-15-10-11-21(2)16(12-15)28-18-13-17(22(21,3)23(18)14-27-23)29-20(26)9-7-5-4-6-8-19(24)25/h4-9,12,16-18H,10-11,13-14H2,1-3H3,(H,24,25)/b5-4+,8-6+,9-7+
InChIKeyFVRDNLIUSWSBCT-WUJFNTSISA-N
Species of MetaboliteComponentSourceComments
Trichoderma harzianum (ncbitaxon:5544) - DOI (10.1021/np50105a019)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
Harzianum A (CHEBI:219910) is a trichothecene (CHEBI:55517)
IUPAC Name 
(2E,4E,6E)-8-oxo-8-(1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl)oxyocta-2,4,6-trienoic acid
Manual XrefsDatabases
4948229ChemSpider