CHEBI:175590 - (1S,3S,4S,5R,6x,8x)-1,5-Diacetoxy-8-angeloyloxy-3,4-epoxy-7(14),10-bisaboladien-2-one

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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 (1S,3S,4S,5R,6x,8x)-1,5-Diacetoxy-8-angeloyloxy-3,4-epoxy-7(14),10-bisaboladien-2-one
ChEBI ID CHEBI:175590
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C24H32O8
Net Charge 0
Average Mass 448.512
Monoisotopic Mass 448.20972
InChI InChI=1S/C24H32O8/c1-9-13(4)23(28)31-17(11-10-12(2)3)14(5)18-19(29-15(6)25)21(27)24(8)22(32-24)20(18)30-16(7)26/h9-10,17-20,22H,5,11H2,1-4,6-8H3/b13-9-
InChIKey ZCWNIRCWJUACBO-LCYFTJDESA-N
SMILES O1C2(C1C(OC(=O)C)C(C(OC(=O)C)C2=O)C(C(OC(=O)/C(/C)=C\C)CC=C(C)C)=C)C
ChEBI Ontology
Outgoing (1S,3S,4S,5R,6x,8x)-1,5-Diacetoxy-8-angeloyloxy-3,4-epoxy-7(14),10-bisaboladien-2-one (CHEBI:175590) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
[2-(2,4-diacetyloxy-6-methyl-5-oxo-7-oxabicyclo[4.1.0]heptan-3-yl)-6-methylhepta-1,5-dien-3-yl] (Z)-2-methylbut-2-enoate
Manual Xrefs Databases
35013742 ChemSpider
HMDB0034584 HMDB
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