(Q113976271)

English

N-[(3S,9Z,15S,21Z,27S,33Z)-15,27-diacetamido-7,19,31-trihydroxy-10,22,34-trimethyl-2,8,14,20,26,32-hexaoxo-1,13,25-trioxa-7,19,31-triazacyclohexatriaconta-9,21,33-trien-3-yl]acetamide

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

chemical compound

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mass

852.41166522 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₉H₆₀N₆O₁₅

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canonical SMILES

O=C1C=C(C)CCOC(=O)C(NC(=O)C)CCCN(O)C(=O)C=C(C)CCOC(=O)C(NC(=O)C)CCCN(O)C(=O)C=C(C)CCOC(=O)C(NC(=O)C)CCCN1O

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isomeric SMILES

CC(=O)N[C@H]1CCCN(O)C(=O)/C=C(/C)CCOC(=O)[C@@H](NC(C)=O)CCCN(O)C(=O)/C=C(/C)CCOC(=O)[C@@H](NC(C)=O)CCCN(O)C(=O)/C=C(/C)CCOC1=O

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found in taxon

Penicillium

1 reference

stated in

Nalpha-acetylfusarinines: isolation, characterization, and properties

Identifiers

InChI

InChI=1S/C39H60N6O15/c1-25-13-19-58-37(52)31(40-28(4)46)11-8-17-44(56)35(50)23-27(3)15-21-60-39(54)33(42-30(6)48)12-9-18-45(57)36(51)24-26(2)14-20-59-38(53)32(41-29(5)47)10-7-16-43(55)34(49)22-25/h22-24,31-33,55-57H,7-21H2,1-6H3,(H,40,46)(H,41,47)(H,42,48)/b25-22-,26-24-,27-23-/t31-,32-,33-/m0/s1

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InChIKey

VGXYDZCCQDSGLZ-LHBVBJHNSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VGXYDZCCQDSGLZ-LHBVBJHNSA-N

1 reference

(Q113976271)

N-[(3S,9Z,15S,21Z,27S,33Z)-15,27-diacetamido-7,19,31-trihydroxy-10,22,34-trimethyl-2,8,14,20,26,32-hexaoxo-1,13,25-trioxa-7,19,31-triazacyclohexatriaconta-9,21,33-trien-3-yl]acetamide

Statements

Identifiers

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