CHEBI:207047 - Lagunapyrone E

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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 E
ChEBI ID CHEBI:207047
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H56O5
Net Charge 0
Average Mass 568.839
Monoisotopic Mass 568.41277
InChI InChI=1S/C36H56O5/c1-10-12-13-17-31-19-21-33(41-36(31)40)30(9)35(39)28(7)16-14-15-24(3)22-26(5)23-25(4)18-20-32(37)29(8)34(38)27(6)11-2/h11,15-16,18-19,21,23,29-30,32,34-35,37-39H,10,12-14,17,20,22H2,1-9H3/b24-15+,25-18+,26-23+,27-11+,28-16+/t29-,30+,32-,34-,35?/m1/s1
InChIKey UJCQIRRRRJVGBE-MBHWCTBHSA-N
SMILES O=C1OC(=CC=C1CCCCC)[C@@H](C(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
Streptomycesspecies MP131-18 (NCBI:txid1857892) See: PubMed
ChEBI Ontology
Outgoing Lagunapyrone E (CHEBI:207047) is a diterpene lactone (CHEBI:49193)
IUPAC Name
3-pentyl-6-[(2R,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
61708542 ChemSpider
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