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CHEBI:223187 - Phialotide H

ChEBI IDCHEBI:223187
ChEBI NamePhialotide H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H80O15
Net Charge0
Average Mass885.142
Monoisotopic Mass884.54972
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](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/C47H80O15/c1-15-21(2)34(48)22(3)16-23(4)35(49)24(5)17-25(6)36(50)26(7)18-27(8)43(61-46-41(55)39(53)37(51)32(13)59-46)28(9)19-29(10)44(30(11)20-31(12)45(57)58)62-47-42(56)40(54)38(52)33(14)60-47/h16-22,24,26,28,30,32-44,46-56H,15H2,1-14H3,(H,57,58)/b23-16+,25-17+,27-18+,29-19+,31-20+/t21?,22?,24?,26-,28-,30-,32-,33-,34?,35?,36+,37-,38-,39+,40+,41+,42+,43+,44+,46-,47-/m0/s1
InChIKeyMKEXFODWQOICAG-ABDORPRSSA-N
Species of MetaboliteComponentSourceComments
Pseudophialophora (ncbitaxon:1524836) - PubMed (31974520)
ChEBI Ontology
Outgoing Relation(s)
Phialotide H (CHEBI:223187) 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-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