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CHEBI:198753 - Pyrroindomycin B

ChEBI IDCHEBI:198753
ChEBI NamePyrroindomycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC60H79ClN4O15
Net Charge0
Average Mass1131.758
Monoisotopic Mass1130.52305
SMILESCCC1CC2(C)C=C(C(=O)O)C(C)C3(C2)NC(=O)C(=C(O)C2(C)C(C=CC4C(O[C@@H]5CC[C@H](O[C@H]6C[C@](C)(O)[C@H](O[C@H]7C[C@@H](OC(=O)c8cc9c(n8)nc8ccc(Cl)cc89)[C@@H](N)[C@@H](C)O7)[C@@H](C)O6)[C@H](C)O5)CCCC42)CC1O)C3=O
InChIInChI=1S/C60H79ClN4O15/c1-9-31-23-57(6)24-37(55(70)71)27(2)60(26-57)51(68)48(54(69)65-60)50(67)59(8)32(19-41(31)66)13-15-34-38(59)11-10-12-43(34)78-45-18-17-42(28(3)74-45)77-47-25-58(7,73)52(30(5)76-47)80-46-22-44(49(62)29(4)75-46)79-56(72)40-21-36-35-20-33(61)14-16-39(35)63-53(36)64-40/h13-16,20-21,24,27-32,34,38,41-47,49,52,63-64,66-67,73H,9-12,17-19,22-23,25-26,62H2,1-8H3,(H,65,69)(H,70,71)/t27?,28-,29+,30+,31?,32?,34?,38?,41?,42-,43?,44+,45+,46-,47-,49-,52+,57?,58-,59?,60?/m0/s1
InChIKeyMFRCAKSQJAQFFR-LLICMZCZSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (8002387)
ChEBI Ontology
Outgoing Relation(s)
Pyrroindomycin B (CHEBI:198753) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
11-[(2S,5S,6S)-5-[(2S,4S,5R,6R)-5-[(2S,4R,5S,6R)-5-amino-4-(7-chloro-3,4-dihydropyrrolo[2,3-b]indole-2-carbonyl)oxy-6-methyloxan-2-yl]oxy-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-18-ethyl-5,17-dihydroxy-6,20,23-trimethyl-3,25-dioxo-2-azapentacyclo[18.3.1.11,4.06,15.07,12]pentacosa-4,13,21-triene-22-carboxylic acid