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CHEBI:220593 - 19-O-deMe-scytophycin C

ChEBI IDCHEBI:220593
ChEBI Name19-O-deMe-scytophycin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H73NO11
Net Charge0
Average Mass792.064
Monoisotopic Mass791.51836
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@@H](C)[C@@H](OC)C[C@@H](O)[C@@H]1C)O2
InChIInChI=1S/C44H73NO11/c1-27-15-18-34(47)23-35-13-12-14-36(55-35)24-39(52-9)32(6)40(53-10)25-38(49)31(5)44(56-41(50)20-16-27)33(7)42(51)28(2)17-19-37(48)30(4)43(54-11)29(3)21-22-45(8)26-46/h12-13,15-16,20-22,26,28-36,38-40,42-44,47,49,51H,14,17-19,23-25H2,1-11H3/b20-16+,22-21+,27-15+/t28-,29+,30-,31-,32+,33-,34-,35-,36-,38+,39-,40-,42-,43+,44-/m0/s1
InChIKeyMVOGRRKBWLHPTF-FUNNEDHOSA-N
Species of MetaboliteComponentSourceComments
Scytonemaspecies (ncbitaxon:1204) - PubMed (2128517)
ChEBI Ontology
Outgoing Relation(s)
19-O-deMe-scytophycin C (CHEBI:220593) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
N-[(E,3R,4R,5R,9S,10S,11S)-11-[(1S,3S,4S,5S,7R,8S,9S,12E,14E,17S,19R)-7,17-dihydroxy-3,5-dimethoxy-4,8,14-trimethyl-11-oxo-10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-trien-9-yl]-10-hydroxy-4-methoxy-3,5,9-trimethyl-6-oxododec-1-enyl]-N-methylormamide
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