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CHEBI:217591 - Pulvomycin B

ChEBI IDCHEBI:217591
ChEBI NamePulvomycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H66O13
Net Charge0
Average Mass839.032
Monoisotopic Mass838.45034
SMILESCO[C@@H]1[C@H](O)[C@@H](OC)[C@H](O[C@@H](C)[C@@H](O)/C=C/C=C/C=C/C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]2C/C=C/C=C/C=C/[C@H](O)C(=O)/C(C)=C/C=C/C(C)=C/C=C(\C)[C@@H](O)CC(=O)O2)O[C@@H]1C
InChIInChI=1S/C47H66O13/c1-29-20-19-21-31(3)42(53)38(50)24-17-11-10-12-18-25-40(60-41(52)28-39(51)30(2)27-26-29)33(5)43(54)32(4)36(48)22-15-13-14-16-23-37(49)34(6)58-47-46(57-9)44(55)45(56-8)35(7)59-47/h10-24,26-27,32-35,37-40,43-47,49-51,54-55H,25,28H2,1-9H3/b11-10+,14-13+,18-12+,20-19+,22-15+,23-16+,24-17+,29-26+,30-27+,31-21+/t32-,33-,34+,35-,37+,38+,39+,40+,43-,44+,45+,46-,47-/m1/s1
InChIKeyPFABSOPTZNXWOT-WACWZRQQSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (32628027)
ChEBI Ontology
Outgoing Relation(s)
Pulvomycin B (CHEBI:217591) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
(4S,5E,7E,9E,11E,14S,15E,17E,19E,22S)-22-[(2S,3S,4S,6E,8E,10E,12S,13S)-3,12-dihydroxy-13-[(2R,3R,4S,5R,6R)-4-hydroxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy-4-methyl-5-oxotetradeca-6,8,10-trien-2-yl]-4,14-dihydroxy-5,8,12-trimethyl-1-oxacyclodocosa-5,7,9,11,15,17,19-heptaene-2,13-dione
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