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CHEBI:40270 - 18-HYDROXYASCOMYCIN

Default Structure
ChEBI IDCHEBI:40270
ChEBI Name18-HYDROXYASCOMYCIN
Stars
DownloadsMolfile
FormulaC43H69NO13
Net Charge0
Average Mass808.019
Monoisotopic Mass807.47689
SMILES[H]O[C@@]12O[C@@]([H])([C@@]([H])(OC([H])([H])[H])C([H])([H])[C@@]1([H])C([H])([H])[H])[C@@]([H])(OC([H])([H])[H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])/C(C([H])([H])[H])=C(\[H])[C@@]([H])(C([H])([H])C([H])([H])[H])C(=O)C([H])([H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])[H])[C@@]([H])(/C(=C(\[H])[C@]1([H])C([H])([H])C([H])([H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[H])C1([H])[H])C([H])([H])[H])OC(=O)[C@@]1([H])N(C(=O)C2=O)C([H])([H])C([H])([H])C([H])([H])C1([H])[H]
InChIInChI=1S/C43H69NO13/c1-10-29-18-23(2)37(48)24(3)19-35(54-8)39-36(55-9)20-26(5)43(52,57-39)40(49)41(50)44-16-12-11-13-30(44)42(51)56-38(27(6)32(46)22-33(29)47)25(4)17-28-14-15-31(45)34(21-28)53-7/h17-18,24,26-32,34-39,45-46,48,52H,10-16,19-22H2,1-9H3/b23-18+,25-17+/t24-,26-,27-,28+,29-,30+,31-,32+,34-,35+,36+,37-,38-,39-,43-/m1/s1
InChIKeyNOQNPBXNHMZMTC-UGTSZWOVSA-N
ChEBI Ontology
Outgoing Relation(s)
18-HYDROXYASCOMYCIN (CHEBI:40270) is a unclassifieds (CHEBI:27189)
Synonyms  Source
18-HYDROXYASCOMYCINPDBeChem
(3S,4R,5S,8R,9E,11S,12R,14S,15R,16S,18R,19R,26aS)-8-ethyl-5,11,19-trihydroxy-3-{(E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl}-14,16-dimethoxy-4,10,12,18-tetramethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetronePDBeChem
Manual XrefsDatabases
818PDBeChem