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CHEBI:226633 - 2,18-seco-lankacidinol B

ChEBI IDCHEBI:226633
ChEBI Name2,18-seco-lankacidinol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O6
Net Charge0
Average Mass392.492
Monoisotopic Mass392.21989
SMILESCC1=C(O)[C@H](C)[C@@H](C[C@H](O)/C=C/C(C)=C/C[C@H](O)/C=C/C(C)=C/CO)OC1=O
InChIInChI=1S/C22H32O6/c1-14(5-8-18(24)9-6-15(2)11-12-23)7-10-19(25)13-20-16(3)21(26)17(4)22(27)28-20/h5-7,9-11,16,18-20,23-26H,8,12-13H2,1-4H3/b9-6+,10-7+,14-5+,15-11+/t16-,18+,19-,20-/m1/s1
InChIKeyJGMRIWYAEMPDLG-QTDJHBEQSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (29348529)
ChEBI Ontology
Outgoing Relation(s)
2,18-seco-lankacidinol B (CHEBI:226633) is a long-chain fatty alcohol (CHEBI:17135)
IUPAC Name 
(2R,3R)-4-hydroxy-3,5-dimethyl-2-[(2S,3E,5E,8S,9E,11E)-2,8,13-trihydroxy-5,11-dimethyltrideca-3,5,9,11-tetraenyl]-2,3-dihydropyran-6-one
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78441597ChemSpider