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CHEBI:223150 - Phialotide B

ChEBI IDCHEBI:223150
ChEBI NamePhialotide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H70O15
Net Charge0
Average Mass802.996
Monoisotopic Mass802.47147
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)O
InChIInChI=1S/C41H70O15/c1-12-18(2)29(43)19(3)13-20(4)30(44)21(5)14-22(6)37(56-41-36(50)34(48)32(46)28(17-42)54-41)23(7)15-24(8)38(25(9)16-26(10)39(51)52)55-40-35(49)33(47)31(45)27(11)53-40/h13-16,18-19,21,23,25,27-38,40-50H,12,17H2,1-11H3,(H,51,52)/b20-13+,22-14+,24-15+,26-16+/t18?,19?,21-,23-,25-,27-,28+,29?,30+,31-,32+,33+,34-,35+,36-,37+,38+,40-,41-/m0/s1
InChIKeyPDBULEVCXYNHCU-DISVFDFCSA-N
Species of MetaboliteComponentSourceComments
Pseudophialophora (ncbitaxon:1524836) - PubMed (31974520)
ChEBI Ontology
Outgoing Relation(s)
Phialotide B (CHEBI:223150) 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-9-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyicosa-2,6,10,14-tetraenoic acid