CHEBI:218283 - Homodimericin A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Homodimericin A
ChEBI ID CHEBI:218283
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H26O8
Net Charge 0
Average Mass 490.508
Monoisotopic Mass 490.16277
InChI InChI=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
InChIKey QKNJDMWFQJHKLS-JZWHQYQUSA-N
SMILES O=C1C(=C(O)C(=O)[C@@]23[C@@]14C=5C(=O)C[C@@]46C(=O)C(O)=C(C)C([C@H]6[C@@H]2[C@@](O)(/C=C/C=C/C)[C@H](C5)[C@@H]3C)=O)C
Metabolite of Species Details
Trichoderma harzianum (NCBI:txid5544) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
58828697 ChemSpider
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