CHEBI:203131 - Lobophorin D

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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 Lobophorin D
ChEBI ID CHEBI:203131
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C61H92N2O19
Net Charge 0
Average Mass 1157.402
Monoisotopic Mass 1156.62943
InChI InChI=1S/C61H92N2O19/c1-27-14-17-42(78-47-25-59(10,62)54(35(9)77-47)63-58(71)73-13)28(2)19-37-20-36(26-64)31(5)24-61(37)56(69)48(57(70)82-61)55(68)60(11)39(27)16-15-38-49(60)29(3)18-30(4)51(38)80-46-23-43(50(67)32(6)74-46)79-44-22-41(66)53(34(8)76-44)81-45-21-40(65)52(72-12)33(7)75-45/h14-16,19-20,29-35,37-47,49-54,64-68H,17-18,21-26,62H2,1-13H3,(H,63,71)/b27-14-,28-19-,55-48-/t29-,30+,31+,32?,33?,34?,35?,37+,38-,39-,40?,41?,42-,43?,44?,45?,46?,47?,49+,50?,51-,52?,53?,54?,59?,60+,61-/m0/s1
InChIKey BFIFMYVVBKSDFE-OTHQJNQTSA-N
SMILES O=C1O[C@@]23[C@H](C=C([C@@H](OC4OC(C(NC(=O)OC)C(C4)(N)C)C)CC=C([C@H]5[C@@](C(=C1C2=O)O)([C@H]6[C@@H]([C@@H](OC7OC(C(O)C(C7)OC8OC(C(OC9OC(C(OC)C(C9)O)C)C(C8)O)C)C)[C@H](C)C[C@@H]6C)C=C5)C)C)C)C=C(CO)[C@@H](C3)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Lobophorin D (CHEBI:203131) is a sesterterpenoid (CHEBI:26660)
IUPAC Name
methyl N-[4-amino-6-[[(1S,3R,6S,7Z,9S,11Z,13S,16S,17S,18R,20S,21R,22S,23Z)-23-hydroxy-17-[5-hydroxy-4-[4-hydroxy-5-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4-(hydroxymethyl)-3,8,12,18,20,22-hexamethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.01,6.013,22.016,21]heptacosa-4,7,11,14,23-pentaen-9-yl]oxy]-2,4-dimethyloxan-3-yl]carbamate
Manual Xref Database
78445107 ChemSpider
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