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CHEBI:204398 - Sporminarin A

ChEBI IDCHEBI:204398
ChEBI NameSporminarin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H62O8
Net Charge0
Average Mass622.884
Monoisotopic Mass622.44447
SMILESCCC(C)C[C@]1(C)C[C@H](C)[C@@H](O)[C@](C)(/C=C(\C)C(O)C(C)/C=C/C(O)C(C)/C=C/C(O)C(C)/C=C(\C)C(O)C(C)C(=O)O)O1
InChIInChI=1S/C36H62O8/c1-12-21(2)18-35(10)19-27(8)33(41)36(11,44-35)20-26(7)31(39)23(4)14-16-29(37)22(3)13-15-30(38)24(5)17-25(6)32(40)28(9)34(42)43/h13-17,20-24,27-33,37-41H,12,18-19H2,1-11H3,(H,42,43)/b15-13+,16-14+,25-17+,26-20+/t21?,22?,23?,24?,27-,28?,29?,30?,31?,32?,33+,35+,36-/m0/s1
InChIKeyKEOVZXPDWAYZHM-HVHFDKRQSA-N
Species of MetaboliteComponentSourceComments
Preussia minimoides (ncbitaxon:269686) - DOI (10.1038/ja.2006.70)
ChEBI Ontology
Outgoing Relation(s)
Sporminarin A (CHEBI:204398) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(4E,8E,12E,16E)-3,7,11,15-tetrahydroxy-17-[(2S,3R,4S,6R)-3-hydroxy-2,4,6-trimethyl-6-(2-methylbutyl)oxan-2-yl]-2,4,6,10,14,16-hexamethylheptadeca-4,8,12,16-tetraenoic acid
Manual XrefsDatabases
10172746ChemSpider