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CHEBI:224621 - PA-46101 B
| Formula | C61H86O22 |
| Net Charge | 0 |
| Average Mass | 1171.337 |
| Monoisotopic Mass | 1170.56107 |
| SMILES | CC[C@@H]1C[C@@]23OC(=O)C(=C2O)OC(=O)[C@]2(C)[C@H](CCCC[C@]3(C)C=C1C(=O)O)C(C)=C[C@@H]1[C@@H](OC3OC(C)C(OC(=O)c4c(C)cccc4OC)C(OC4CC(O)C(OC)C(C)O4)C3O)[C@@H](OC3OC(C)C(OC)C(C)(O)C3OC)CC[C@H]12 |
| InChI | InChI=1S/C61H86O22/c1-14-33-26-61-49(64)48(54(68)83-61)82-57(69)59(8)36(19-15-16-23-58(61,7)27-35(33)52(65)66)29(3)24-34-37(59)21-22-40(78-56-51(74-13)60(9,70)50(73-12)32(6)77-56)46(34)81-55-43(63)47(79-41-25-38(62)44(72-11)30(4)75-41)45(31(5)76-55)80-53(67)42-28(2)18-17-20-39(42)71-10/h17-18,20,24,27,30-34,36-38,40-41,43-47,50-51,55-56,62-64,70H,14-16,19,21-23,25-26H2,1-13H3,(H,65,66)/t30?,31?,32?,33-,34+,36-,37-,38?,40+,41?,43?,44?,45?,46-,47?,50?,51?,55?,56?,58-,59-,60?,61-/m1/s1 |
| InChIKey | VWAVLHBQMIPOES-RJWUGKOISA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomyces (ncbitaxon:1883) | - | PubMed (2387767) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PA-46101 B (CHEBI:224621) is a diterpene glycoside (CHEBI:71939) |
| IUPAC Name |
|---|
| (1S,3R,6R,11R,14S,15R,16S,19R,20S)-3-ethyl-26-hydroxy-16-(4-hydroxy-3,5-dimethoxy-4,6-dimethyloxan-2-yl)oxy-15-[3-hydroxy-4-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-5-(2-methoxy-6-methylbenzoyl)oxy-6-methyloxan-2-yl]oxy-6,12,20-trimethyl-21,24-dioxo-22,25-dioxapentacyclo[21.2.1.01,6.011,20.014,19]hexacosa-4,12,23(26)-triene-4-carboxylic acid |