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CHEBI:188767 - dehydroxychlorofusarielin B

ChEBI IDCHEBI:188767
ChEBI Namedehydroxychlorofusarielin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H39ClO4
Net Charge0
Average Mass439.036
Monoisotopic Mass438.25369
SMILES[H][C@@]12C[C@@](C)(O)[C@H](Cl)C[C@@]1([H])[C@H](/C=C/C=C(\C)[C@@H](O)[C@@H](C)CO)[C@H](/C(C)=C/C)[C@@]1(C)O[C@@]21[H]
InChIInChI=1S/C25H39ClO4/c1-7-14(2)21-17(10-8-9-15(3)22(28)16(4)13-27)18-11-20(26)24(5,29)12-19(18)23-25(21,6)30-23/h7-10,16-23,27-29H,11-13H2,1-6H3/b10-8+,14-7+,15-9+/t16-,17-,18-,19+,20+,21-,22+,23-,24+,25+/m0/s1
InChIKeyNUVPMECBNLBBBB-RGIDNKBKSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
dehydroxychlorofusarielin B (CHEBI:188767) is a oxacycle (CHEBI:38104)
IUPAC Name 
(2S,3S,4E,6E)-7-[(1aR,2R,3S,3aS,5R,6R,7aR,7bS)-2-[(E)-but-2-en-2-yl]-5-chloro-6-hydroxy-1a,6-dimethyl-2,3,3a,4,5,7,7a,7b-octahydronaphtho[1,2-b]oxiren-3-yl]-2,4-dimethylhepta-4,6-diene-1,3-diol
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