CHEBI:203431 - Lobophorin F

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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 F
ChEBI ID CHEBI:203431
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C54H78N2O17
Net Charge 0
Average Mass 1027.215
Monoisotopic Mass 1026.53005
InChI InChI=1S/C54H78N2O17/c1-24-13-16-37(70-41-23-52(10,56(64)65)47(32(9)69-41)55-51(63)66-12)26(3)19-33-18-25(2)29(6)22-54(33)49(61)42(50(62)73-54)48(60)53(11)35(24)15-14-34-43(53)27(4)17-28(5)46(34)72-40-21-38(45(59)31(8)68-40)71-39-20-36(57)44(58)30(7)67-39/h13-15,18-19,27-41,43-47,57-60H,16-17,20-23H2,1-12H3,(H,55,63)/t27-,28-,29+,30+,31+,32+,33+,34-,35-,36-,37?,38-,39-,40-,41+,43+,44+,45+,46-,47-,52-,53+,54?/m1/s1
InChIKey MVMHAFZCUXRAAA-TZKIJQPBSA-N
SMILES O=[N+]([O-])[C@]1([C@H](NC(=O)OC)[C@@H](O[C@H](C1)OC2C(=C[C@@H]3C=C([C@@H](C)CC34OC(=O)C(C4=O)=C([C@]5([C@@H](C(=CC2)C)C=C[C@H]6[C@H](O[C@H]7O[C@H]([C@H](O)[C@@H](C7)O[C@H]8O[C@H]([C@H](O)[C@@H](C8)O)C)C)[C@H](C)C[C@H]([C@H]56)C)C)O)C)C)C)C
Metabolite of Species Details
Streptomycesspecies (NCBI:txid1931) See: PubMed
ChEBI Ontology
Outgoing Lobophorin F (CHEBI:203431) is a sesterterpenoid (CHEBI:26660)
IUPAC Name
methyl N-[(2S,3S,4R,6R)-6-[[(3S,6S,13R,16R,17R,18R,20R,21S,22R)-17-[(2S,4R,5S,6S)-4-[(2R,4R,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-23-hydroxy-3,4,8,12,18,20,22-heptamethyl-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-dimethyl-4-nitrooxan-3-yl]carbamate