CHEBI:225129 - 3-hydroxyrifamycin S

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 3-hydroxyrifamycin S
ChEBI ID CHEBI:225129
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C37H45NO13
Net Charge 0
Average Mass 711.761
Monoisotopic Mass 711.28909
InChI InChI=1S/C37H45NO13/c1-15-11-10-12-16(2)36(47)38-26-30(43)24-23(31(44)32(26)45)25-34(20(6)29(24)42)51-37(8,35(25)46)49-14-13-22(48-9)17(3)33(50-21(7)39)19(5)28(41)18(4)27(15)40/h10-15,17-19,22,27-28,33,40-43H,1-9H3,(H,38,47)/b11-10+,14-13+,16-12-/t15-,17+,18+,19+,22-,27-,28+,33+,37-/m0/s1
InChIKey RHKLJQICQQSACY-HBMAFQNGSA-N
SMILES O=C1NC2=C(O)C3=C(O)C(=C4O[C@@](C(C4=C3C(C2=O)=O)=O)(OC=C[C@H](OC)[C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](C=CC=C1C)C)O)C)O)C)OC(=O)C)C)C)C
Metabolite of Species Details
Nocardia (NCBI:txid1817) See: PubMed
ChEBI Ontology
Outgoing 3-hydroxyrifamycin S (CHEBI:225129) is a naphthofuran (CHEBI:39270)
IUPAC Name
[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,26,27-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29)-heptaen-13-yl] acetate
Manual Xref Database
78443294 ChemSpider
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