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CHEBI:209712 - Cervimycin A

ChEBI IDCHEBI:209712
ChEBI NameCervimycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC62H82O25
Net Charge0
Average Mass1227.313
Monoisotopic Mass1226.51452
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)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/C62H82O25/c1-26(63)50-55(68)56(35-24-33-23-34-52(37(65)25-43(74-10)53(34)66)54(67)51(33)58(70)62(35,57(50)69)87-49-22-16-41(31(6)80-49)81-44-17-11-36(64)27(2)75-44)86-48-21-14-40(30(5)79-48)84-46-19-12-38(28(3)77-46)82-45-18-13-39(29(4)76-45)83-47-20-15-42(32(7)78-47)85-60(73)61(8,9)59(71)72/h23,25,27-32,35-36,38-42,44-49,56,64,67,69H,11-22,24H2,1-10H3,(H,71,72)/t27-,28+,29+,30-,31-,32+,35-,36+,38+,39+,40+,41+,42+,44+,45+,46+,47+,48+,49+,56-,62+/m1/s1
InChIKeyDTTQURMKQUWCNN-ZVSUTAIVSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (15940739)
ChEBI Ontology
Outgoing Relation(s)
Cervimycin A (CHEBI:209712) is a anthraquinone (CHEBI:22580)
Cervimycin A (CHEBI:209712) 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-2,2-dimethyl-3-oxopropanoic acid
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