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CHEBI:45491 - REIDISPONGIOLIDE A

Default Structure
ChEBI IDCHEBI:45491
ChEBI NameREIDISPONGIOLIDE A
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC54H87NO13
Net Charge0
Average Mass958.284
Monoisotopic Mass957.61774
SMILES[H]C(=O)N(/C([H])=C(\[H])C([H])([H])[C@@]([H])(OC([H])([H])[H])[C@]([H])(C(=O)C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])[C@]([H])(OC([H])([H])[H])[C@]([H])(C([H])([H])[H])[C@@]1([H])OC(=O)/C([H])=C([H])/C([H])=C(/C([H])([H])[H])C([H])([H])[C@@]([H])(OC([H])([H])[H])C([H])([H])C2=C([H])C(=O)O[C@]([H])(C2([H])[H])[C@]([H])(C([H])([H])[H])[C@@]([H])(OC([H])([H])[H])C([H])([H])[C@]([H])(OC([H])([H])[H])/C([H])=C(\[H])[C@]([H])(C([H])([H])[H])[C@@]([H])(OC([H])([H])[H])C([H])([H])[C@@]([H])(OC([H])([H])[H])/C([H])=C(\[H])[C@]1([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
InChIInChI=1S/C54H87NO13/c1-35-18-16-20-51(58)68-54(41(7)53(66-15)37(3)23-26-46(57)39(5)47(63-12)19-17-27-55(8)34-56)38(4)22-25-43(60-9)32-48(64-13)36(2)21-24-44(61-10)33-49(65-14)40(6)50-30-42(31-52(59)67-50)29-45(28-35)62-11/h16-18,20-22,24-25,27,31,34,36-41,43-45,47-50,53-54H,19,23,26,28-30,32-33H2,1-15H3/b20-16+,24-21+,25-22+,27-17+,35-18-/t36-,37-,38-,39-,40+,41-,43-,44+,45+,47+,48-,49-,50+,53-,54-/m0/s1
InChIKeyLOYDTENNTZZQJM-RLFVYDFCSA-N
ChEBI Ontology
Outgoing Relation(s)
REIDISPONGIOLIDE A (CHEBI:45491) is a unclassifieds (CHEBI:27189)
Synonyms  Source
N-{(1E,4R,5R,9S,10S,11S)-4,10-dimethoxy-5,9-dimethyl-6-oxo-11-[(3R,5E,7E,11S,12S,13E,15R,17S,18S,19E,21S,23S,24R,25R)-3,15,17,21,23-pentamethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl]dodec-1-en-1-yl}-N-methylformamidePDBeChem
REIDISPONGIOLIDE APDBeChem
Manual XrefsDatabases
RGAPDBeChem