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CHEBI:201410 - Saccharocarcin B

ChEBI IDCHEBI:201410
ChEBI NameSaccharocarcin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC68H103NO20
Net Charge0
Average Mass1254.559
Monoisotopic Mass1253.70734
SMILESCCCC1C=CC2C=C(C)C(OC3CC(C)(O)C(NC(C)=O)C(C)O3)C(C)C=C(C)C3C=CC4C(OC5CC(OC6CCC(O)C(C)O6)C(OC6CC(O)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/C68H103NO20/c1-15-16-42-17-18-43-25-35(6)58(88-54-30-66(13,78)62(40(11)83-54)69-41(12)70)33(4)23-31(2)45-20-19-44-56(67(45,14)63(75)55-64(76)68(43,29-42)89-65(55)77)32(3)24-34(5)59(44)85-53-28-49(84-50-22-21-46(71)36(7)79-50)61(39(10)82-53)87-52-27-48(73)60(38(9)81-52)86-51-26-47(72)57(74)37(8)80-51/h17-20,23,25,32-34,36-40,42-54,56-62,71-75,78H,15-16,21-22,24,26-30H2,1-14H3,(H,69,70)
InChIKeyWVWPUYZPOCJSRH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Saccharocarcin B (CHEBI:201410) is a terpene glycoside (CHEBI:61777)
IUPAC Name 
N-[(2S,3S,4S,6R)-6-[[(1S,3R,6S,7E,9S,11E,13S,16S,17S,18S,20S,21R,22S,23E)-17-[(2S,4R,5R,6R)-5-[(2R,4R,5S,6R)-5-[(2R,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-[(2S,5R,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-23-hydroxy-8,10,12,18,20,22-hexamethyl-25,27-dioxo-3-propyl-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
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