CHEBI:203347 - Albatrelin F

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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 Albatrelin F
ChEBI ID CHEBI:203347
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C44H58O6
Net Charge 0
Average Mass 682.942
Monoisotopic Mass 682.42334
InChI InChI=1S/C44H58O6/c1-28(2)15-11-17-30(5)19-13-20-32(7)22-26-43-36(45)27-33(8)41(47)44(43,48)50-39-35-23-25-42(10,49-40(35)38(46)34(9)37(39)43)24-14-21-31(6)18-12-16-29(3)4/h15-16,19,21-23,25,27,46,48H,11-14,17-18,20,24,26H2,1-10H3/b30-19+,31-21+,32-22+/t42-,43?,44?/m1/s1
InChIKey BIIBZAQPPUWOPA-NGFJZNNZSA-N
SMILES O=C1C(=CC(=O)C2(C1(OC=3C4=C(O[C@@](CC/C=C(/CCC=C(C)C)\C)(C)C=C4)C(=C(C23)C)O)O)C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)C
Metabolite of Species Details
Albatrellus ovinus (NCBI:txid139090) See: PubMed
ChEBI Ontology
Outgoing Albatrelin F (CHEBI:203347) is a diterpenoid (CHEBI:23849)
IUPAC Name
(3R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-5,10a-dihydroxy-3,6,9-trimethyl-6b-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-[1]benzouro[2,3-]chromene-7,10-dione
Manual Xref Database
29417225 ChemSpider
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