CHEBI:203333 - TMC-154

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name TMC-154
ChEBI ID CHEBI:203333
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C41H72O14
Net Charge 0
Average Mass 789.013
Monoisotopic Mass 788.49221
InChI InChI=1S/C41H72O14/c1-12-21(2)13-22(3)14-27(8)38(55-41-37(50)36(49)39(52-11)32(19-43)54-41)28(9)16-25(6)33(46)23(4)15-24(5)34(47)26(7)17-29(10)40(51)53-20-31(45)35(48)30(44)18-42/h14-17,21-23,26,28,30-39,41-50H,12-13,18-20H2,1-11H3/b24-15+,25-16+,27-14+,29-17+/t21-,22-,23-,26-,28-,30+,31+,32+,33-,34+,35+,36+,37-,38+,39+,41-/m0/s1
InChIKey OBPQMRUXOXZBPH-GOYUESPXSA-N
SMILES O=C(OC[C@@H](O)[C@H](O)[C@H](O)CO)/C(=C/[C@@H]([C@H](O)/C(=C/[C@@H]([C@H](O)/C(=C/[C@@H]([C@H](O[C@@H]1O[C@@H]([C@@H](OC)[C@@H]([C@@H]1O)O)CO)/C(=C/[C@H](C[C@H](CC)C)C)/C)C)/C)C)/C)C)/C
Metabolite of Species Details
Gliocladium (NCBI:txid62887) See: PubMed
ChEBI Ontology
Outgoing TMC-154 (CHEBI:203333) is a sesterterpenoid (CHEBI:26660)
IUPAC Name
[(2R,3R,4R)-2,3,4,5-tetrahydroxypentyl] (2E,4S,5S,6E,8S,9S,10E,12S,13S,14E,16S,18S)-13-[(2R,3S,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-5,9-dihydroxy-2,4,6,8,10,12,14,16,18-nonamethylicosa-2,6,10,14-tetraenoate
Manual Xref Database
8072822 ChemSpider
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