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CHEBI:208953 - Cervimycin C

ChEBI IDCHEBI:208953
ChEBI NameCervimycin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC61H81NO25
Net Charge0
Average Mass1228.301
Monoisotopic Mass1227.50977
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(N)=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/C61H81NO25/c1-25-34(63)10-16-42(75-25)81-39-15-21-47(80-29(39)5)87-61-33(23-31-22-32-49(52(66)48(31)55(61)68)35(64)24-41(74-9)51(32)65)54(53(67)50(56(61)69)57(62)70)86-46-20-13-38(28(4)79-46)84-44-18-11-36(26(2)77-44)82-43-17-12-37(27(3)76-43)83-45-19-14-40(30(6)78-45)85-59(73)60(7,8)58(71)72/h22,24-30,33-34,36-40,42-47,54,63,66,69H,10-21,23H2,1-9H3,(H2,62,70)(H,71,72)/t25-,26+,27+,28-,29-,30+,33-,34+,36+,37+,38+,39+,40+,42+,43+,44+,45+,46+,47+,54-,61-/m1/s1
InChIKeyCYKZTBKVWQAQLU-KSQSWLAPSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (15326518)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Cervimycin C (CHEBI:208953) is a anthracycline (CHEBI:48120)
IUPAC Name 
3-[(2S,3S,6S)-6-[(2S,3S,6S)-6-[(2S,3S,6S)-6-[(2R,3S,6S)-6-[[(1R,4aS,12aR)-3-carbamoyl-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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