CHEBI:200979 - Lagunapyrone B

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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 Lagunapyrone B
ChEBI ID CHEBI:200979
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C34H52O5
Net Charge 0
Average Mass 540.785
Monoisotopic Mass 540.38147
InChI InChI=1S/C34H52O5/c1-10-13-29-17-19-31(39-34(29)38)28(9)33(37)26(7)15-12-14-22(3)20-24(5)21-23(4)16-18-30(35)27(8)32(36)25(6)11-2/h11,14-17,19,21,27-28,30,32-33,35-37H,10,12-13,18,20H2,1-9H3/b22-14+,23-16+,24-21+,25-11+,26-15+/t27-,28+,30-,32-,33-/m1/s1
InChIKey OTNYCNDIGKWKTO-KOJVWQQKSA-N
SMILES O=C1OC(=CC=C1CCC)[C@@H]([C@H](O)/C(=C/C/C=C(/C/C(=C/C(=C/C[C@@H](O)[C@H]([C@H](O)/C(=C/C)/C)C)/C)/C)\C)/C)C
Metabolite of Species Details
Actinomycesspecies (NCBI:txid29317) See: DOI
ChEBI Ontology
Outgoing Lagunapyrone B (CHEBI:200979) is a diterpene lactone (CHEBI:49193)
IUPAC Name
3-propyl-6-[(2R,3S,4E,7E,10E,12E,15R,16R,17S,18E)-3,15,17-trihydroxy-4,8,10,12,16,18-hexamethylicosa-4,7,10,12,18-pentaen-2-yl]pyran-2-one
Manual Xref Database
8612729 ChemSpider
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