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CHEBI:221269 - 6-OH-7-Ome-15-O-deMe-scytophycin B

ChEBI IDCHEBI:221269
ChEBI Name6-OH-7-Ome-15-O-deMe-scytophycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H73NO13
Net Charge0
Average Mass836.073
Monoisotopic Mass835.50819
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](O)[C@@]3(CO3)[C@@H](OC)C[C@@H](OC)[C@@H]1C)O2
InChIInChI=1S/C45H73NO13/c1-27-15-18-41(51)59-44(32(6)42(52)28(2)16-17-35(48)30(4)43(56-11)29(3)19-20-46(7)26-47)31(5)37(53-8)24-40(55-10)45(25-57-45)39(50)23-34-14-12-13-33(58-34)22-38(54-9)36(49)21-27/h12-13,15,18-21,26,28-34,36-40,42-44,49-50,52H,14,16-17,22-25H2,1-11H3/b18-15+,20-19+,27-21?/t28-,29+,30-,31-,32-,33-,34-,36-,37+,38+,39-,40-,42-,43+,44-,45-/m0/s1
InChIKeyREUYTMKASWACIB-OELWZPMNSA-N
Species of MetaboliteComponentSourceComments
Nostocspecies HAN11/1 (ncbitaxon:1622128) - PubMed (25871291)
ChEBI Ontology
Outgoing Relation(s)
6-OH-7-Ome-15-O-deMe-scytophycin B (CHEBI:221269) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
N-[(E,3R,4R,5R,9S,10S,11S)-11-[(1S,3S,4S,5S,7R,8S,9R,12E,16S,17R,19R)-3,16-dihydroxy-5,7,17-trimethoxy-8,14-dimethyl-11-oxospiro[10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-triene-4,2'-oxirane]-9-yl]-10-hydroxy-4-methoxy-3,5,9-trimethyl-6-oxododec-1-enyl]-N-methylormamide