CHEBI:219895 - 6-hydroxysporotricale

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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 6-hydroxysporotricale
ChEBI ID CHEBI:219895
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H34O7
Net Charge 0
Average Mass 422.518
Monoisotopic Mass 422.23045
InChI InChI=1S/C23H34O7/c1-15(24)12-13-16(25)10-8-6-4-3-5-7-9-11-18-20-21(23(28)30-18)19(29-2)14-17(26)22(20)27/h14-15,18,24,26-27H,3-13H2,1-2H3/t15-,18-/m1/s1
InChIKey LWNNVKZBAGYIMH-CRAIPNDOSA-N
SMILES O=C1O[C@H](CCCCCCCCCC(=O)CC[C@H](O)C)C=2C1=C(OC)C=C(O)C2O
Metabolite of Species Details
Sporotrichum laxum (NCBI:txid184472) See: PubMed
ChEBI Ontology
Outgoing 6-hydroxysporotricale (CHEBI:219895) is a long-chain fatty alcohol (CHEBI:17135)
IUPAC Name
(3R)-4,5-dihydroxy-3-[(13R)-13-hydroxy-10-oxotetradecyl]-7-methoxy-3H-2-benzouran-1-one
Manual Xref Database
17257445 ChemSpider
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