(Q105283083)

English

CID 6436060

group of stereoisomers with the chemical formula C₅₉H₁₀₃N₃O₁₈

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Statements

instance of

group of stereoisomers

0 references

1 reference

1,141.723663456 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₉H₁₀₃N₃O₁₈

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canonical SMILES

O=C(O)CC(=O)OC1CC(O)CC(O)C(C)C(O)C=CC=CC(C)C(OC(=O)C(C)C(O)C=CC(C)C(O)CC(O)C(C)C(O)CCC(C)C(O)CC2(O)OC(CC(O)C2O)C1)C(C)CC(C)CCCC=CCCCNC(=N)NC

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isomeric SMILES

CNC(=N)NCCC/C=C/CCCC(C)CC(C)C1OC(=O)C(C)C(O)/C=C/C(C)C(O)CC(O)C(C)C(O)CCC(C)C(O)CC2(O)OC(CC(OC(=O)CC(=O)O)CC(O)CC(O)C(C)C(O)/C=C/C=C\C1C)CC(O)C2O

1 reference

based on heuristic

inferred from InChI

found in taxon

Streptomyces hygroscopicus

1 reference

stated in

Structure of scopafungin, a potent nonpolyene antifungal antibiotic

Identifiers

InChI

InChI=1S/C59H103N3O18/c1-34(18-14-12-10-11-13-17-25-62-58(60)61-9)26-38(5)55-37(4)19-15-16-20-45(64)39(6)49(68)28-42(63)27-43(78-54(74)32-53(72)73)29-44-30-51(70)56(75)59(77,80-44)33-52(71)36(3)22-23-46(65)40(7)50(69)31-48(67)35(2)21-24-47(66)41(8)57(76)79-55/h10-11,15-16,19-21,24,34-52,55-56,63-71,75,77H,12-14,17-18,22-23,25-33H2,1-9H3,(H,72,73)(H3,60,61,62)/b11-10+,19-15-,20-16+,24-21+

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InChIKey

VAYOSPAPALLOIO-GTGIXXMMSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VAYOSPAPALLOIO-GTGIXXMMSA-N

1 reference

(Q105283083)

CID 6436060

Statements

Identifiers

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