CHEBI:205610 - Tetrocarcin O

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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 Tetrocarcin O
ChEBI ID CHEBI:205610
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C61H90N2O22
Net Charge 0
Average Mass 1203.383
Monoisotopic Mass 1202.59852
InChI InChI=1S/C61H90N2O22/c1-27-13-16-42(81-48-25-59(10,63(73)74)54(34(8)79-48)62-58(72)75-12)28(2)20-39-40(66)21-36(26-64)24-61(39)56(70)49(57(71)85-61)55(69)60(11)38(27)15-14-37-50(60)29(3)19-30(4)52(37)84-47-23-44(53(33(7)78-47)80-35(9)65)83-45-18-17-43(31(5)76-45)82-46-22-41(67)51(68)32(6)77-46/h13-15,20,29-34,36-48,50-54,64,66-69H,16-19,21-26H2,1-12H3,(H,62,72)/b27-13+,28-20?,55-49?/t29-,30-,31-,32-,33-,34+,36+,37-,38-,39?,40-,41+,42-,43+,44+,45-,46+,47-,48-,50+,51-,52-,53-,54-,59-,60+,61-/m0/s1
InChIKey OZSIZYJXJZFSFQ-KFPPFFLSSA-N
SMILES O=[N+]([O-])[C@@]1([C@@H](NC(=O)OC)[C@H](O[C@H](C1)O[C@@H]2C(=CC3[C@@]4(OC(=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](OC(=O)C)[C@@H](C7)O[C@@H]8O[C@H]([C@H](O[C@H]9O[C@H]([C@H](O)[C@@H](C9)O)C)CC8)C)C)[C@@H](C)C[C@@H]([C@@H]56)C)C)O)C[C@H](CO)C[C@@H]3O)C)C)C
Metabolite of Species Details
Micromonosporaspecies 5-297 (NCBI:txid866460) See: DOI
ChEBI Ontology
Outgoing Tetrocarcin O (CHEBI:205610) is a sesterterpenoid (CHEBI:26660)