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CHEBI:215213 - Saccharosacrin A

ChEBI IDCHEBI:215213
ChEBI NameSaccharosacrin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC67H101NO20
Net Charge0
Average Mass1240.532
Monoisotopic Mass1239.69169
SMILESCCC1C=CC2/C=C(\C)C(OC3CC(C)(O)C(NC(C)=O)C(C)O3)C(C)/C=C(\C)C3C=CC4C(OC5CC(O)C(OC6CC(OC7CCC(O)C(C)O7)C(OC7CC(O)C(O)C(C)O7)C(C)O6)C(C)O5)C(C)CC(C)C4C3(C)C(O)=C3C(=O)OC2(C1)C3=O
InChIInChI=1S/C67H101NO20/c1-15-41-16-17-42-24-34(6)57(87-53-29-65(13,77)61(39(11)82-53)68-40(12)69)32(4)22-30(2)44-19-18-43-55(66(44,14)62(74)54-63(75)67(42,28-41)88-64(54)76)31(3)23-33(5)58(43)84-51-26-47(72)59(37(9)80-51)85-52-27-48(83-49-21-20-45(70)35(7)78-49)60(38(10)81-52)86-50-25-46(71)56(73)36(8)79-50/h16-19,22,24,31-33,35-39,41-53,55-61,70-74,77H,15,20-21,23,25-29H2,1-14H3,(H,68,69)/b30-22+,34-24+,62-54?
InChIKeyWBJMUCNBAGLXQP-FBZSZBRHSA-N
Species of MetaboliteComponentSourceComments
Saccharothrix (ncbitaxon:2071) - PubMed (9099220)
ChEBI Ontology
Outgoing Relation(s)
Saccharosacrin A (CHEBI:215213) is a terpene glycoside (CHEBI:61777)
IUPAC Name 
N-[6-[[(7E,11E)-17-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-23-hydroxy-8,10,12,18,20,22-hexamethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.01,6.013,22.016,21]heptacosa-4,7,11,14,23-pentaen-9-yl]oxy]-4-hydroxy-2,4-dimethyloxan-3-yl]acetamide