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CHEBI:216686 - Varitatin A

ChEBI IDCHEBI:216686
ChEBI NameVaritatin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H38ClNO5
Net Charge0
Average Mass480.045
Monoisotopic Mass479.24385
SMILESCC[C@@H](C)/C=C/CCCC/C=C/C=C/C=C/C(=O)N[C@@H]1CO[C@@]2(O)C=C[C@@H](Cl)[C@H](O)[C@@]2(O)C1
InChIInChI=1S/C26H38ClNO5/c1-3-20(2)14-12-10-8-6-4-5-7-9-11-13-15-23(29)28-21-18-25(31)24(30)22(27)16-17-26(25,32)33-19-21/h5,7,9,11-17,20-22,24,30-32H,3-4,6,8,10,18-19H2,1-2H3,(H,28,29)/b7-5+,11-9+,14-12+,15-13+/t20-,21+,22-,24+,25+,26+/m1/s1
InChIKeyFQBWNVBDQZRLFD-PSUCEUSWSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (26561719)
ChEBI Ontology
Outgoing Relation(s)
Varitatin A (CHEBI:216686) is a benzopyran (CHEBI:22727)
IUPAC Name 
(2E,4E,6E,12E,14R)-N-[(3S,4aS,5R,6R,8aS)-6-chloro-4a,5,8a-trihydroxy-3,4,5,6-tetrahydro-2H-chromen-3-yl]-14-methylhexadeca-2,4,6,12-tetraenamide
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