CHEBI:200512 - Hybocarpone

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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 Hybocarpone
ChEBI ID CHEBI:200512
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H24O13
Net Charge 0
Average Mass 544.465
Monoisotopic Mass 544.12169
InChI InChI=1S/C26H24O13/c1-5-23-19(33)9-11(17(31)15(29)7(3)13(9)27)21(35)25(23,37)39-26(38)22(36)12-10(20(34)24(23,26)6-2)14(28)8(4)16(30)18(12)32/h27-32,37-38H,5-6H2,1-4H3/t23-,24-,25-,26-/m1/s1
InChIKey MZNMSRGMWTWFRF-VEYUFSJPSA-N
SMILES O=C1C2=C(O)C(O)=C(C)C(=C2C(=O)[C@]3([C@@]1(O[C@]4(O)C(=O)C=5C(O)=C(O)C(=C(C5C([C@]34CC)=O)O)C)O)CC)O
Metabolite of Species Details
Lecanora hybocarpa (NCBI:txid394998) See: DOI
ChEBI Ontology
Outgoing Hybocarpone (CHEBI:200512) is a naphthofuran (CHEBI:39270)
IUPAC Name
(1S,2S,11S,13S)-1,2-diethyl-5,7,8,11,13,16,17,19-octahydroxy-6,18-dimethyl-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-4(9),5,7,15(20),16,18-hexaene-3,10,14,21-tetrone
Manual Xref Database
8635442 ChemSpider
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