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CHEBI:223179 - Phialotide G

ChEBI IDCHEBI:223179
ChEBI NamePhialotide G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H90O20
Net Charge0
Average Mass1047.283
Monoisotopic Mass1046.60255
SMILESCCC(C)C(O)C(C)/C=C(\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/C53H90O20/c1-15-22(2)36(55)23(3)16-24(4)37(56)25(5)17-26(6)47(73-53-46(65)43(62)40(59)35(21-54)70-53)27(7)18-28(8)48(71-51-44(63)41(60)38(57)33(13)68-51)29(9)19-30(10)49(31(11)20-32(12)50(66)67)72-52-45(64)42(61)39(58)34(14)69-52/h16-20,22-23,25,27,29,31,33-49,51-65H,15,21H2,1-14H3,(H,66,67)/b24-16+,26-17+,28-18+,30-19+,32-20+/t22?,23?,25?,27-,29-,31-,33-,34-,35+,36?,37?,38-,39-,40+,41+,42+,43-,44+,45+,46-,47+,48+,49+,51-,52-,53-/m0/s1
InChIKeyBTVNMDDYVRTMGK-MUDKWMEQSA-N
Species of MetaboliteComponentSourceComments
Pseudophialophora (ncbitaxon:1524836) - PubMed (31974520)
ChEBI Ontology
Outgoing Relation(s)
Phialotide G (CHEBI:223179) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(2E,4S,5S,6E,8S,9S,10E,12S,13S,14E,18E)-17,21-dihydroxy-2,4,6,8,10,12,14,16,18,20,22-undecamethyl-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]tetracosa-2,6,10,14,18-pentaenoic acid