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CHEBI:206185 - Cervimycin B

ChEBI IDCHEBI:206185
ChEBI NameCervimycin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC61H80O25
Net Charge0
Average Mass1213.286
Monoisotopic Mass1212.49887
SMILESCOC1=CC(=O)c2c(cc3c(c2O)C(=O)[C@@]2(O[C@H]4CC[C@H](O[C@H]5CC[C@H](O)[C@@H](C)O5)[C@@H](C)O4)C(O)=C(C(C)=O)C(=O)[C@H](O[C@H]4CC[C@H](O[C@H]5CC[C@H](O[C@H]6CC[C@H](O[C@H]7CC[C@H](OC(=O)C(C)C(=O)O)[C@H](C)O7)[C@H](C)O6)[C@H](C)O5)[C@@H](C)O4)[C@H]2C3)C1=O
InChIInChI=1S/C61H80O25/c1-25(59(70)71)60(72)84-42-14-19-47(77-32(42)8)82-39-12-17-45(75-29(39)5)81-38-11-18-46(76-28(38)4)83-40-13-20-48(78-30(40)6)85-56-35-23-33-22-34-52(37(64)24-43(73-9)53(34)65)54(66)51(33)58(69)61(35,57(68)50(26(2)62)55(56)67)86-49-21-15-41(31(7)79-49)80-44-16-10-36(63)27(3)74-44/h22,24-25,27-32,35-36,38-42,44-49,56,63,66,68H,10-21,23H2,1-9H3,(H,70,71)/t25?,27-,28+,29+,30-,31-,32+,35-,36+,38+,39+,40+,41+,42+,44+,45+,46+,47+,48+,49+,56-,61+/m1/s1
InChIKeyBWIAPPHQSUHPDB-IWCGXAMISA-N
Species of MetaboliteComponentSourceComments
Streptomyces tendae (ncbitaxon:1932) - PubMed (15940739)
ChEBI Ontology
Outgoing Relation(s)
Cervimycin B (CHEBI:206185) is a anthraquinone (CHEBI:22580)
Cervimycin B (CHEBI:206185) is a glycoside (CHEBI:24400)
IUPAC Name 
3-[(2S,3S,6S)-6-[(2S,3S,6S)-6-[(2S,3S,6S)-6-[(2R,3S,6S)-6-[[(1R,4aS,12aR)-3-acetyl-4,6-dihydroxy-4a-[(2S,5S,6R)-5-[(2S,5S,6R)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-methoxy-2,5,7,10-tetraoxo-12,12a-dihydro-1H-tetracen-1-yl]oxy]-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyl-3-oxopropanoic acid
Manual XrefsDatabases
9868547ChemSpider