CHEBI:231482 - kihadalactone A

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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 kihadalactone A
ChEBI ID CHEBI:231482
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C30H40O7
Net Charge 0
Average Mass 512.643
Monoisotopic Mass 512.27740
InChI InChI=1S/C30H40O7/c1-17(31)35-24-14-23-27(3,4)37-26(33)15-25(36-18(2)32)30(23,7)22-10-12-28(5)20(19-11-13-34-16-19)8-9-21(28)29(22,24)6/h9,11,13,16,20,22-25H,8,10,12,14-15H2,1-7H3/t20-,22-,23-,24+,25-,28-,29-,30+/m0/s1
InChIKey ONWYJKOVGIGNQN-IFRITVQJSA-N
SMILES [C@@]12([C@]([C@@]3([C@@]([C@@H](C1)OC(=O)C)(C=4[C@@](CC3)([C@@](CC4)(C=5C=COC5)[H])C)C)[H])(C)[C@H](CC(OC2(C)C)=O)OC(C)=O)[H]
ChEBI Ontology
Outgoing kihadalactone A (CHEBI:231482) is a acetate ester (CHEBI:47622)
kihadalactone A (CHEBI:231482) is a organic heteropentacyclic compound (CHEBI:38164)
Synonym Source
kihadalactone A UniProt
Citation Waiting for Citations Type Source
36701471 PubMed citation SUBMITTER