EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:221271 - 7-OMe-29-OAc-scytophycin B

ChEBI IDCHEBI:221271
ChEBI Name7-OMe-29-OAc-scytophycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H75NO13
Net Charge0
Average Mass862.111
Monoisotopic Mass861.52384
SMILESCO[C@H]1CC=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)=O)[C@H](C)/C=C/N(C)C=O)[C@@H](C)[C@H](OC)C[C@H](OC)[C@]2(CO2)[C@@H](OC)C[C@@H]2CC=C[C@@H](C1)O2
InChIInChI=1S/C47H75NO13/c1-29-16-19-36(54-9)24-37-14-13-15-38(60-37)25-41(56-11)47(27-58-47)42(57-12)26-40(55-10)33(5)46(61-43(52)21-17-29)34(6)44(53)30(2)18-20-39(51)32(4)45(59-35(7)50)31(3)22-23-48(8)28-49/h13-14,16-17,21-23,28,30-34,36-38,40-42,44-46,53H,15,18-20,24-27H2,1-12H3/b21-17+,23-22+,29-16?/t30-,31+,32-,33-,34-,36-,37-,38-,40+,41-,42-,44-,45+,46-,47-/m0/s1
InChIKeyIAGFSHQIORKUKX-UVLRBNAQSA-N
Species of MetaboliteComponentSourceComments
Anabaenaspecies HAN21/1 (ncbitaxon:1622124) - PubMed (25871291)
ChEBI Ontology
Outgoing Relation(s)
7-OMe-29-OAc-scytophycin B (CHEBI:221271) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
[(E,3R,4R,5R,9S,10S,11S)-1-[ormyl(methyl)amino]-10-hydroxy-3,5,9-trimethyl-6-oxo-11-[(1S,3S,4S,5S,7R,8S,9R,12E,17S,19R)-3,5,7,17-tetramethoxy-8,14-dimethyl-11-oxospiro[10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-triene-4,2'-oxirane]-9-yl]dodec-1-en-4-yl] acetate