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CHEBI:218283 - Homodimericin A

ChEBI IDCHEBI:218283
ChEBI NameHomodimericin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H26O8
Net Charge0
Average Mass490.508
Monoisotopic Mass490.16277
SMILESC/C=C/C=C/[C@@]1(O)[C@@H]2C=C3C(=O)C[C@]45C(=O)C(O)=C(C)C(=O)[C@H]4[C@H]1[C@]1(C(=O)C(O)=C(C)C(=O)[C@]315)[C@H]2C
InChIInChI=1S/C28H26O8/c1-5-6-7-8-26(36)14-9-15-16(29)10-25-17(18(30)11(2)19(31)23(25)34)21(26)27(13(14)4)24(35)20(32)12(3)22(33)28(15,25)27/h5-9,13-14,17,21,31-32,36H,10H2,1-4H3/b6-5+,8-7+/t13-,14+,17-,21+,25+,26+,27-,28-/m0/s1
InChIKeyQKNJDMWFQJHKLS-JZWHQYQUSA-N
Species of MetaboliteComponentSourceComments
Trichoderma harzianum (ncbitaxon:5544) - PubMed (27608853)
ChEBI Ontology
Outgoing Relation(s)
Homodimericin A (CHEBI:218283) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1R,2R,3S,4S,9S,13S,18R,19S)-2,7,16-trihydroxy-6,15,19-trimethyl-2-[(1E,3E)-penta-1,3-dienyl]hexacyclo[10.7.1.03,18.04,9.09,13.013,18]icosa-6,12(20),15-triene-5,8,11,14,17-pentone
Manual XrefsDatabases
58828697ChemSpider