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CHEBI:217760 - Nectrianolin B

ChEBI IDCHEBI:217760
ChEBI NameNectrianolin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H38O7
Net Charge0
Average Mass462.583
Monoisotopic Mass462.26175
SMILESCC1=CCC[C@@H](C)[C@]1(C)CC/C(C)=C/[C@H](O)[C@]12O[C@H]1[C@H](O)C(COC(=O)C[C@@H](C)O)=CC2=O
InChIInChI=1S/C26H38O7/c1-15(9-10-25(5)16(2)7-6-8-17(25)3)11-20(28)26-21(29)13-19(23(31)24(26)33-26)14-32-22(30)12-18(4)27/h7,11,13,17-18,20,23-24,27-28,31H,6,8-10,12,14H2,1-5H3/b15-11+/t17-,18-,20+,23-,24+,25-,26-/m1/s1
InChIKeyOFSSRZNLGJTEKA-WMQOLYJXSA-N
Species of MetaboliteComponentSourceComments
Nectria (ncbitaxon:5133) - DOI (10.1016/j.tetlet.2017.09.032)
ChEBI Ontology
Outgoing Relation(s)
Nectrianolin B (CHEBI:217760) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
[(1S,2R,6S)-2-hydroxy-6-[(E,1S)-1-hydroxy-3-methyl-5-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]pent-2-enyl]-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methyl (3R)-3-hydroxybutanoate
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78439398ChemSpider