CHEBI:205383 - 4,25-dehydro-22-deoxyminiolutelide B

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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 4,25-dehydro-22-deoxyminiolutelide B
ChEBI ID CHEBI:205383
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H30O9
Net Charge 0
Average Mass 486.517
Monoisotopic Mass 486.18898
InChI InChI=1S/C26H30O9/c1-11-13-8-17(27)35-22(3,4)14(13)9-16-24(6)15(11)10-23(5)18-19(33-20(23)28)32-12(2)26(30,34-16)25(18,24)21(29)31-7/h8-9,12,15-16,18-19,30H,1,10H2,2-7H3/t12-,15-,16+,18+,19+,23+,24+,25-,26+/m1/s1
InChIKey SSIAJGSCGQAALW-BEQYNWFXSA-N
SMILES O=C1OC(C2=C[C@@H]3O[C@@]4(O)[C@H](O[C@@H]5[C@@H]6[C@]4([C@]3([C@@H](C(C2=C1)=C)C[C@@]6(C(=O)O5)C)C)C(=O)OC)C)(C)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing 4,25-dehydro-22-deoxyminiolutelide B (CHEBI:205383) is a furopyran (CHEBI:74927)
IUPAC Name
methyl (1R,10S,12R,13R,15S,18S,19S,20R,21R)-12-hydroxy-7,7,13,18,21-pentamethyl-2-methylidene-5,17-dioxo-6,11,14,16-tetraoxahexacyclo[16.3.1.03,8.010,21.012,20.015,19]docosa-3,8-diene-20-carboxylate
Manual Xref Database
29215270 ChemSpider
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