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CHEBI:181486 - Scytophycin B

ChEBI IDCHEBI:181486
ChEBI NameScytophycin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC45H73NO12
Net Charge0
Average Mass820.074
Monoisotopic Mass819.51328
SMILES[H][C@]12CC=C[C@@]([H])(C[C@@H](O)C/C=C(C)/C=C/C(=O)O[C@]([H])([C@@H](C)[C@@H](O)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O)[C@@H](C)[C@H](OC)C[C@H](OC)[C@]3(CO3)[C@@H](OC)C1)O2
InChIInChI=1S/C45H73NO12/c1-28-15-18-34(48)23-35-13-12-14-36(57-35)24-39(53-9)45(26-56-45)40(54-10)25-38(52-8)32(5)44(58-41(50)20-16-28)33(6)42(51)29(2)17-19-37(49)31(4)43(55-11)30(3)21-22-46(7)27-47/h12-13,15-16,20-22,27,29-36,38-40,42-44,48,51H,14,17-19,23-26H2,1-11H3/b20-16+,22-21+,28-15+/t29-,30+,31-,32-,33-,34-,35-,36-,38+,39-,40-,42-,43+,44-,45-/m0/s1
InChIKeyLGYQYCWMQRMLJJ-DAAXTDNESA-N
ChEBI Ontology
Outgoing Relation(s)
Scytophycin B (CHEBI:181486) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
N-[(E,3R,4R,5R,9S,10S,11S)-10-hydroxy-11-[(1S,3S,4S,5S,7R,8S,9R,12E,14E,17S,19R)-17-hydroxy-3,5,7-trimethoxy-8,14-dimethyl-11-oxospiro[10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-triene-4,2'-oxirane]-9-yl]-4-methoxy-3,5,9-trimethyl-6-oxododec-1-enyl]-N-methylormamide
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8254683ChemSpider