CHEBI:210234 - Asperterpene D

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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 Asperterpene D
ChEBI ID CHEBI:210234
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/c1-11-17-26(34-17)22(4)10-9-12(27)21(2,3)14(22)13(28)16(29)24(26,6)15-18(30)35-25(7,20(32)33-8)19(31)23(11,15)5/h15,17,28H,1,9-10H2,2-8H3/t15-,17-,22+,23+,24-,25-,26+/m0/s1
InChIKey TUFJOFANNIXESE-QPEYRODOSA-N
SMILES O=C1C(O)=C2[C@](CCC(C2(C)C)=O)(C)[C@@]34[C@]1([C@H]5C(=O)O[C@@](C(=O)OC)(C)C([C@]5(C)C([C@@H]3O4)=C)=O)C
Metabolite of Species Details
Aspergillus terreus (NCBI:txid33178) See: PubMed
ChEBI Ontology
Outgoing Asperterpene D (CHEBI:210234) is a organic heterotricyclic compound (CHEBI:26979)
Asperterpene D (CHEBI:210234) is a organooxygen compound (CHEBI:36963)
IUPAC Name
methyl (1R,3S,5S,7S,10S,11R,19R)-13-hydroxy-5,7,11,15,15,19-hexamethyl-4-methylidene-6,9,12,16-tetraoxo-2,8-dioxapentacyclo[9.8.0.01,3.05,10.014,19]nonadec-13-ene-7-carboxylate
Manual Xref Database
78439131 ChemSpider
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