CHEBI:226633 - 2,18-seco-lankacidinol 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 2,18-seco-lankacidinol B
ChEBI ID CHEBI:226633
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H32O6
Net Charge 0
Average Mass 392.492
Monoisotopic Mass 392.21989
InChI InChI=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
InChIKey JGMRIWYAEMPDLG-QTDJHBEQSA-N
SMILES O=C1O[C@@H]([C@@H](C)C(=C1C)O)C[C@H](O)/C=C/C(=C/C[C@H](O)/C=C/C(=C/CO)/C)/C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing 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
Manual Xref Database
78441597 ChemSpider
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