CHEBI:204226 - Decaturin C

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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 Decaturin C
ChEBI ID CHEBI:204226
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C30H35NO5
Net Charge 0
Average Mass 489.612
Monoisotopic Mass 489.25152
InChI InChI=1S/C30H35NO5/c1-18-7-8-24-27(4,10-9-23-26(2,3)30(33)12-11-28(23,24)17-34-30)29(18)15-20-22(36-29)14-21(35-25(20)32)19-6-5-13-31-16-19/h5-7,13-14,16,23-24,33H,8-12,15,17H2,1-4H3/t23-,24-,27+,28+,29-,30-/m0/s1
InChIKey VVYVYDOUCPUFSI-XHVWOXFNSA-N
SMILES O=C1OC(C2=CN=CC=C2)=CC3=C1C[C@@]4(C(=CC[C@H]5[C@]4(CC[C@@H]6[C@@]57CO[C@@](C6(C)C)(O)CC7)C)C)O3
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing Decaturin C (CHEBI:204226) is a organic heterotricyclic compound (CHEBI:26979)
Decaturin C (CHEBI:204226) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1S,2R,6S,7R,10R,12S)-12-hydroxy-5,7,11,11-tetramethyl-6'-pyridin-3-ylspiro[13-oxatetracyclo[10.2.2.01,10.02,7]hexadec-4-ene-6,2'-3H-uro[3,2-c]pyran]-4'-one
Manual Xref Database
10216972 ChemSpider
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