CHEBI:210742 - Berkleasmin 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 Berkleasmin E
ChEBI ID CHEBI:210742
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C32H52O8
Net Charge 0
Average Mass 564.760
Monoisotopic Mass 564.36622
InChI InChI=1S/C32H52O8/c1-9-10-11-12-13-23(18-33)16-19(2)26(34)22(5)27(35)38-25-15-14-20(3)30(6)17-24-21(4)28(36-7)39-32(24,37-8)29-31(25,30)40-29/h16,20,22-23,25-26,28-29,33-34H,9-15,17-18H2,1-8H3/b19-16+/t20-,22+,23?,25+,26+,28-,29-,30+,31+,32-/m0/s1
InChIKey OMFJTIUQBUXYGZ-ZMPHMXKPSA-N
SMILES O=C(O[C@H]1[C@@]23O[C@@H]2[C@]4(O[C@H](OC)C(=C4C[C@@]3([C@@H](C)CC1)C)C)OC)[C@@H]([C@H](O)/C(=C/C(CO)CCCCCC)/C)C
Metabolite of Species Details
Berkleasmium (NCBI:txid358867) See: DOI
ChEBI Ontology
Outgoing Berkleasmin E (CHEBI:210742) is a naphthofuran (CHEBI:39270)
IUPAC Name
[(1R,3S,4S,6S,10R,11S,14R)-4,6-dimethoxy-7,10,11-trimethyl-2,5-dioxatetracyclo[8.4.0.01,3.04,8]tetradec-7-en-14-yl] (E,2R,3S)-3-hydroxy-6-(hydroxymethyl)-2,4-dimethyldodec-4-enoate
Manual Xref Database
78437967 ChemSpider
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