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CHEBI:220599 - 6-OH-7-OMe-scytophycin E

ChEBI IDCHEBI:220599
ChEBI Name6-OH-7-OMe-scytophycin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H77NO13
Net Charge0
Average Mass852.116
Monoisotopic Mass851.53949
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@H](O)[C@H](OC)C[C@@H]2C=CC[C@@H](C[C@H](OC)[C@@H](CO)[C@@H](OC)C[C@@H](OC)[C@@H]1C)O2
InChIInChI=1S/C46H77NO13/c1-28-16-19-43(52)60-46(33(6)44(53)29(2)17-18-37(50)31(4)45(58-12)30(3)20-21-47(7)27-49)32(5)39(54-8)25-41(56-10)36(26-48)40(55-9)23-34-14-13-15-35(59-34)24-42(57-11)38(51)22-28/h13,15-16,19-22,27,29-36,38-42,44-46,48,51,53H,14,17-18,23-26H2,1-12H3/b19-16+,21-20+,28-22+/t29-,30+,31-,32-,33-,34-,35-,36+,38-,39+,40-,41-,42+,44-,45+,46-/m0/s1
InChIKeyHKSURPHWRMGDOZ-NKHCFBCYSA-N
Species of MetaboliteComponentSourceComments
Scytonemaspecies (ncbitaxon:1204) - PubMed (2128517)
ChEBI Ontology
Outgoing Relation(s)
6-OH-7-OMe-scytophycin E (CHEBI:220599) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
N-[(E,3R,4R,5R,9S,10S,11S)-10-hydroxy-11-[(1S,3S,4R,5S,7R,8S,9R,12E,14E,16S,17R,19R)-16-hydroxy-4-(hydroxymethyl)-3,5,7,17-tetramethoxy-8,14-dimethyl-11-oxo-10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-trien-9-yl]-4-methoxy-3,5,9-trimethyl-6-oxododec-1-enyl]-N-methylormamide
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