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CHEBI:218757 - Elansolid B2

ChEBI IDCHEBI:218757
ChEBI NameElansolid B2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H52O7
Net Charge0
Average Mass620.827
Monoisotopic Mass620.37130
SMILESCO[C@H](c1ccc(O)cc1)[C@@H]1[C@@H]2[C@@H](C=C(C)[C@@H]1C=CC=CC=C[C@H](O)[C@H](C)[C@@H](O)CC=C(C)C=CC(=O)O)[C@](C)(O)CC2(C)C
InChIInChI=1S/C38H52O7/c1-24(15-21-33(42)43)14-20-32(41)26(3)31(40)13-11-9-8-10-12-29-25(2)22-30-35(37(4,5)23-38(30,6)44)34(29)36(45-7)27-16-18-28(39)19-17-27/h8-19,21-22,26,29-32,34-36,39-41,44H,20,23H2,1-7H3,(H,42,43)/t26-,29-,30+,31-,32-,34-,35-,36+,38+/m0/s1
InChIKeyYOOWNZNHXMGFGU-SHXUZGOKSA-N
Species of MetaboliteComponentSourceComments
Chitinophaga sancti (ncbitaxon:1004) - PubMed (21472917)
ChEBI Ontology
Outgoing Relation(s)
Elansolid B2 (CHEBI:218757) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(7S,8R,9S)-15-[(1R,3aR,4R,5R,7aR)-1-hydroxy-4-[(S)-(4-hydroxyphenyl)-methoxymethyl]-1,3,3,6-tetramethyl-3a,4,5,7a-tetrahydro-2H-inden-5-yl]-7,9-dihydroxy-4,8-dimethylpentadeca-2,4,10,12,14-pentaenoic acid