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CHEBI:223157 - Phialotide C

ChEBI IDCHEBI:223157
ChEBI NamePhialotide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H70O14
Net Charge0
Average Mass786.997
Monoisotopic Mass786.47656
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](C)[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)O
InChIInChI=1S/C41H70O14/c1-13-18(2)29(42)19(3)14-20(4)30(43)21(5)15-22(6)37(54-40-35(48)33(46)31(44)27(11)52-40)23(7)16-24(8)38(25(9)17-26(10)39(50)51)55-41-36(49)34(47)32(45)28(12)53-41/h14-19,21,23,25,27-38,40-49H,13H2,1-12H3,(H,50,51)/b20-14+,22-15+,24-16+,26-17+/t18?,19?,21-,23-,25-,27-,28-,29?,30+,31-,32-,33+,34+,35+,36+,37+,38+,40-,41-/m0/s1
InChIKeyPCYHKTYNXXYKTE-GVTUPKNOSA-N
Species of MetaboliteComponentSourceComments
Pseudophialophora (ncbitaxon:1524836) - PubMed (31974520)
ChEBI Ontology
Outgoing Relation(s)
Phialotide C (CHEBI:223157) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(2E,4S,5S,6E,8S,9S,10E,12S,13S,14E)-13,17-dihydroxy-2,4,6,8,10,12,14,16,18-nonamethyl-5,9-bis[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]icosa-2,6,10,14-tetraenoic acid