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CHEBI:223165 - Phialotide E

ChEBI IDCHEBI:223165
ChEBI NamePhialotide E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H76O16
Net Charge0
Average Mass861.076
Monoisotopic Mass860.51334
SMILESCCC(C)C(O)C(C)/C=C(\C)[C@@H](O)[C@@H](C)/C=C(\C)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@@H](C)/C=C(\C)[C@@H](O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)[C@@H](C)/C=C(\C)C(O)C(C)C(=O)O
InChIInChI=1S/C44H76O16/c1-13-19(2)31(46)20(3)14-21(4)32(47)22(5)15-24(7)41(60-44-39(54)37(52)35(50)30(18-45)58-44)27(10)17-26(9)40(25(8)16-23(6)33(48)28(11)42(55)56)59-43-38(53)36(51)34(49)29(12)57-43/h14-17,19-20,22,25,27-41,43-54H,13,18H2,1-12H3,(H,55,56)/b21-14+,23-16+,24-15+,26-17+/t19?,20?,22-,25-,27-,28?,29-,30+,31?,32+,33?,34-,35+,36+,37-,38+,39-,40-,41+,43-,44-/m0/s1
InChIKeyBJUUIWYKIPDGQD-XIJHTCFDSA-N
Species of MetaboliteComponentSourceComments
Pseudophialophora (ncbitaxon:1524836) - PubMed (31974520)
ChEBI Ontology
Outgoing Relation(s)
Phialotide E (CHEBI:223165) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(4E,6S,7S,8E,10S,11S,12E,14S,15S,16E)-3,15,19-trihydroxy-2,4,6,8,10,12,14,16,18,20-decamethyl-11-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxydocosa-4,8,12,16-tetraenoic acid