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CHEBI:223162 - Phialotide D

ChEBI IDCHEBI:223162
ChEBI NamePhialotide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H60O10
Net Charge0
Average Mass640.855
Monoisotopic Mass640.41865
SMILESCCC(C)C(O)C(C)/C=C(\C)[C@@H](O)[C@@H](C)/C=C(\C)[C@@H](O)[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)O
InChIInChI=1S/C35H60O10/c1-12-17(2)27(36)18(3)13-19(4)28(37)20(5)14-21(6)29(38)22(7)15-23(8)33(24(9)16-25(10)34(42)43)45-35-32(41)31(40)30(39)26(11)44-35/h13-18,20,22,24,26-33,35-41H,12H2,1-11H3,(H,42,43)/b19-13+,21-14+,23-15+,25-16+/t17?,18?,20-,22-,24-,26-,27?,28+,29+,30-,31+,32+,33+,35-/m0/s1
InChIKeyVNZHPBFNWGBKAJ-HKMOYPRQSA-N
Species of MetaboliteComponentSourceComments
Pseudophialophora (ncbitaxon:1524836) - PubMed (31974520)
ChEBI Ontology
Outgoing Relation(s)
Phialotide D (CHEBI:223162) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(2E,4S,5S,6E,8S,9S,10E,12S,13S,14E)-9,13,17-trihydroxy-2,4,6,8,10,12,14,16,18-nonamethyl-5-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyicosa-2,6,10,14-tetraenoic acid