CHEBI:217083 - Lasiojasmonate 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 Lasiojasmonate B
ChEBI ID CHEBI:217083
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H40O7
Net Charge 0
Average Mass 464.599
Monoisotopic Mass 464.27740
InChI InChI=1S/C26H40O7/c1-6-7-8-9-20-19(10-11-23(20)27)12-24(28)30-13-22-16(3)26(33-18(22)5)31-14-21-15(2)25(29)32-17(21)4/h7-8,15-22,26H,6,9-14H2,1-5H3/b8-7-/t15-,16-,17+,18+,19+,20+,21-,22-,26+/m0/s1
InChIKey ZFWVWJMEIUIICD-SFQFICRTSA-N
SMILES O=C1O[C@H](C)[C@H]([C@@H]1C)CO[C@@H]2O[C@H](C)[C@H]([C@@H]2C)COC(=O)C[C@@H]3[C@H](C(=O)CC3)C/C=C\CC
Metabolite of Species Details
Lasiodiplodiaspecies BL101 (NCBI:txid1488211) See: PubMed
ChEBI Ontology
Outgoing Lasiojasmonate B (CHEBI:217083) has functional parent jasmonic acid (CHEBI:18292)
Lasiojasmonate B (CHEBI:217083) is a lipid (CHEBI:18059)
IUPAC Name
[(2R,3R,4S,5R)-5-[[(2R,3R,4S)-2,4-dimethyl-5-oxooxolan-3-yl]methoxy]-2,4-dimethyloxolan-3-yl]methyl 2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate
Manual Xref Database
78443437 ChemSpider
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