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CHEBI:226474 - Amycolatopsin B
| Formula | C60H98O22 |
| Net Charge | 0 |
| Average Mass | 1171.422 |
| Monoisotopic Mass | 1170.65497 |
| SMILES | COCCC[C@H]1O[C@@](O)([C@H](C)C2CC(OC)C(O)C=C(C)/C=C(C)/C=C(\C)C(O[C@H]3O[C@H](C)[C@@H](OC)[C@H](O)[C@H]3O)C(C)/C=C(C)/C=C(OC)/C=C(\C)C(=O)O2)[C@H](OC)[C@@H](O)[C@]1(C)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@@](C)(O)[C@H](O)[C@@H](C)O2)[C@@H](C)O1 |
| WURCS | WURCS=2.0/3,3,2/[ad222m-1b_1-5][a2122m-1a_1-5_4*OC][ad522m-1b_1-5_3*C]/1-2-3/a1n2-b1n1*1OC^XC^XC=^ECC=^ZCC=^ECCOC^XC^RC^SC^RC^RC^SO*2/18C^RCCCOC/21O$15/18C/17O/16OC/15O/14C/13CC^XC^XC=^XCC=^ECC=^EC$3/42C/40C/38C/36O/35OC/11=O/10C/8OC/6C/4C_a4-c1 |
| InChI | InChI=1S/C60H98O22/c1-30-21-31(2)25-41(61)44(72-15)28-43(78-56(67)35(6)26-40(71-14)24-32(3)23-34(5)50(33(4)22-30)80-57-49(64)48(63)52(73-16)38(9)77-57)36(7)60(69)55(74-17)54(66)59(12,45(81-60)19-18-20-70-13)82-46-27-42(62)51(37(8)75-46)79-47-29-58(11,68)53(65)39(10)76-47/h21-26,34,36-39,41-55,57,61-66,68-69H,18-20,27-29H2,1-17H3/b30-21+,31-25?,32-23+,33-22+,35-26+,40-24-/t34?,36-,37-,38-,39-,41?,42+,43?,44?,45-,46+,47+,48-,49-,50?,51-,52-,53-,54-,55-,57-,58-,59-,60+/m1/s1 |
| InChIKey | RXEUEJKMIIQASU-BNZNVNIESA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Amycolatopsis (ncbitaxon:1813) | - | PubMed (29066791) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Amycolatopsin B (CHEBI:226474) is a oligosaccharide (CHEBI:50699) |
| IUPAC Name |
|---|
| (3E,5Z,7E,11E,13E)-20-[(1R)-1-[(2S,3R,4R,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4R,5R,6R)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-2,4-dihydroxy-3-methoxy-6-(3-methoxypropyl)-5-methyloxan-2-yl]ethyl]-10-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-5-methoxy-6-methyloxan-2-yl]oxy-17-hydroxy-5,18-dimethoxy-3,7,9,11,13,15-hexamethyl-1-oxacycloicosa-3,5,7,11,13,15-hexaen-2-one |