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CHEBI:222543 - Quartromicin A1

Default Structure
ChEBI IDCHEBI:222543
ChEBI NameQuartromicin A1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC77H98O30
Net Charge-4
Average Mass1503.601
Monoisotopic Mass1502.61649
SMILESC/C1=C/C=C\C2(C)C=C(CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C(C)CC23OC([O-])C(C3=O)C(O)/C=C\C2(C)C=C(C=O)C(C)CC23OC([O-])C(C3=O)C(O)/C(C)=C\C=C/C2C=C(CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C(C)CC23OC([O-])C(C3=O)C(O)/C=C\C2(C)C=C(C=O)C(C)CC23OC([O-])C(C3=O)C1O
InChIInChI=1S/C77H98O30/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/h10-20,25-29,36-39,44-60,65-70,80-91H,21-24,30-33H2,1-9H3/q-4/b14-10-,17-11-,18-15-,19-16-,34-12-,35-13-/t36?,37?,38?,39?,44?,45?,46?,47-,48-,49?,50?,51?,52?,53?,54?,55+,56+,57+,58+,59-,60-,65?,66?,67?,68?,69+,70+,71?,72?,73?,74?,75?,76?,77?/m1/s1
InChIKeyJJNPIRKBXBBKHB-UVFZGITFSA-N
Species of MetaboliteComponentSourceComments
Amycolatopsis (ncbitaxon:1813) - PubMed (1313409)
ChEBI Ontology
Outgoing Relation(s)
Quartromicin A1 (CHEBI:222543) is a triterpenoid (CHEBI:36615)