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CHEBI:223144 - Phialotide A

ChEBI IDCHEBI:223144
ChEBI NamePhialotide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H80O19
Net Charge0
Average Mass949.138
Monoisotopic Mass948.52938
SMILESCCC(C)C(O)C(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@@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/C47H80O19/c1-13-19(2)31(49)20(3)14-21(4)41(66-47-40(58)37(55)34(52)30(18-48)63-47)22(5)15-23(6)42(64-45-38(56)35(53)32(50)28(11)61-45)24(7)16-25(8)43(26(9)17-27(10)44(59)60)65-46-39(57)36(54)33(51)29(12)62-46/h14-17,19-20,22,24,26,28-43,45-58H,13,18H2,1-12H3,(H,59,60)/b21-14+,23-15+,25-16+,27-17+/t19?,20?,22-,24-,26-,28-,29-,30+,31?,32-,33-,34+,35+,36+,37-,38+,39+,40-,41+,42+,43+,45-,46-,47-/m0/s1
InChIKeyRRZWYDOKLFXOKW-RSXJCHSYSA-N
Species of MetaboliteComponentSourceComments
Pseudophialophora (ncbitaxon:1524836) - PubMed (31974520)
ChEBI Ontology
Outgoing Relation(s)
Phialotide A (CHEBI:223144) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(2E,4S,5S,6E,8S,9S,10E,12S,13S,14E)-17-hydroxy-2,4,6,8,10,12,14,16,18-nonamethyl-13-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,9-bis[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]icosa-2,6,10,14-tetraenoic acid