EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:221237 - Quartromicin A2
| Formula | C77H104O30 |
| Net Charge | 0 |
| Average Mass | 1509.649 |
| Monoisotopic Mass | 1508.66124 |
| SMILES | CC1=CC=CC2C=C(COC3OC(CO)C(O)C(O)C3O)C(C)CC23OC(O)C(C3=O)C(O)C=CC2(C)C=C(CO)C(C)CC23OC(O)C(C3=O)C(O)C(C)=CC=CC2(C)C=C(COC3OC(CO)C(O)C(O)C3O)C(C)CC23OC(O)C(C3=O)C(O)C=CC2(C)C=C(C=O)C(C)CC23OC(O)C(C3=O)C1O |
| InChI | InChI=1S/C77H104O30/c1-34-12-10-14-44-20-40(32-100-69-59(90)57(88)55(86)47(30-80)102-69)36(3)21-74(44)61(92)49(65(96)104-74)45(82)15-18-72(8)25-41(28-78)38(5)23-77(72)64(95)52(68(99)107-77)54(85)35(2)13-11-17-71(7)27-43(33-101-70-60(91)58(89)56(87)48(31-81)103-70)39(6)24-75(71)62(93)50(66(97)105-75)46(83)16-19-73(9)26-42(29-79)37(4)22-76(73)63(94)51(53(34)84)67(98)106-76/h10-20,25-27,29,36-39,44-60,65-70,78,80-91,96-99H,21-24,28,30-33H2,1-9H3 |
| InChIKey | IPNHJDRWAPDVOK-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Amycolatopsis (ncbitaxon:1813) | - | PubMed (1313409) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Quartromicin A2 (CHEBI:221237) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| 9,11,23,25,35,37,49,51-octahydroxy-30-(hydroxymethyl)-3,6,15,18,22,29,32,41,48-nonamethyl-53,54,55,56-tetraoxo-16,42-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-12,26,38,52-tetraoxanonacyclo[48.2.1.110,13.124,27.136,39.01,6.013,18.027,32.039,44]hexapentaconta-4,7,16,19,21,30,33,42,45,47-decaene-4-carbaldehyde |