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CHEBI:223172 - Phialotide F

ChEBI IDCHEBI:223172
ChEBI NamePhialotide F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H80O16
Net Charge0
Average Mass901.141
Monoisotopic Mass900.54464
SMILESCCC(C)C(O)C(C)/C=C(\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/C47H80O16/c1-14-21(2)34(49)22(3)15-23(4)35(50)24(5)16-25(6)36(51)26(7)17-27(8)43(63-47-42(57)40(55)38(53)33(20-48)61-47)28(9)18-29(10)44(30(11)19-31(12)45(58)59)62-46-41(56)39(54)37(52)32(13)60-46/h15-19,21-22,24,26,28,30,32-44,46-57H,14,20H2,1-13H3,(H,58,59)/b23-15+,25-16+,27-17+,29-18+,31-19+/t21?,22?,24?,26-,28-,30-,32-,33+,34?,35?,36+,37-,38+,39+,40-,41+,42-,43+,44+,46-,47-/m0/s1
InChIKeyHDIMEWASAZBNPS-IGNBIPJVSA-N
Species of MetaboliteComponentSourceComments
Pseudophialophora (ncbitaxon:1524836) - PubMed (31974520)
ChEBI Ontology
Outgoing Relation(s)
Phialotide F (CHEBI:223172) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(2E,4S,5S,6E,8S,9S,10E,12S,13S,14E,18E)-13,17,21-trihydroxy-2,4,6,8,10,12,14,16,18,20,22-undecamethyl-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]oxytetracosa-2,6,10,14,18-pentaenoic acid