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CHEBI:212977 - Scytophycin A

ChEBI IDCHEBI:212977
ChEBI NameScytophycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H75NO12
Net Charge0
Average Mass822.090
Monoisotopic Mass821.52893
SMILESCO[C@H]([C@H](C)/C=C/N(C)C=O)[C@@H](C)C(O)CC[C@H](C)[C@H](O)[C@H](C)[C@H]1OC(=O)/C=C/C(C)=C/C[C@H](O)C[C@@H]2C=CC[C@@H](C[C@H](OC)[C@@]3(CO3)[C@@H](OC)C[C@@H](OC)[C@@H]1C)O2
InChIInChI=1S/C45H75NO12/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/h12-13,15-16,20-22,27,29-40,42-44,48-49,51H,14,17-19,23-26H2,1-11H3/b20-16+,22-21+,28-15+/t29-,30+,31-,32-,33-,34-,35-,36-,37?,38+,39-,40-,42-,43+,44-,45-/m0/s1
InChIKeyCYZZFSCFKCNCLO-XMPFBODESA-N
Species of MetaboliteComponentSourceComments
Scytonema (ncbitaxon:1203) - DOI (10.1021/jo00376a047)
ChEBI Ontology
Outgoing Relation(s)
Scytophycin A (CHEBI:212977) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
N-[(E,3R,4R,5S,9S,10S,11S)-6,10-dihydroxy-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-trimethyldodec-1-enyl]-N-methylormamide
Manual XrefsDatabases
10273411ChemSpider