(Q110168734)

English

(11Z,13Z)-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-7-(2-hydroxyethyl)-5,9,13,15-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione

group of stereoisomers with the chemical formula C₃₁H₅₃NO₈

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

567.377117656 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₅₃NO₈

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canonical SMILES

O=C1OC(CC)C(C=C(C=CC(=O)C(C)CC(CCO)C(OC2OC(C)CC(N(C)C)C2O)C(C)C(O)C1)C)C

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isomeric SMILES

CCC1OC(=O)CC(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(CCO)CC(C)C(=O)/C=C\C(C)=C/C1C

1 reference

2 references

Macrolide antibiotics M-4365 produced by Micromonospora. II. Chemical structures

stated in

Macrolide antibiotics M-4365 produced by Micromonospora. I. Taxonomy, production, isolation, characterization and properties

Identifiers

InChI

InChI=1S/C31H53NO8/c1-9-27-20(4)14-18(2)10-11-25(34)19(3)15-23(12-13-33)30(22(6)26(35)17-28(36)39-27)40-31-29(37)24(32(7)8)16-21(5)38-31/h10-11,14,19-24,26-27,29-31,33,35,37H,9,12-13,15-17H2,1-8H3/b11-10-,18-14-

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InChIKey

KOARRXOZPWLCJM-RBBIFSNSSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KOARRXOZPWLCJM-RBBIFSNSSA-N

ChEBI ID

223832

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C31H53NO8/c1-9-27-20(4)14-18(2)10-11-25(34)19(3)15-23(12-13-33)30(22(6)26(35)17-28(36)39-27)40-31-29(37)24(32(7)8)16-21(5)38-31/h10-11,14,19-24,26-27,29-31,33,35,37H,9,12-13,15-17H2,1-8H3/b11-10-,18-14-

1 reference

Natural Product Atlas ID

NPA021124

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

KOARRXOZPWLCJM-RBBIFSNSSA-N

(Q110168734)

(11Z,13Z)-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-7-(2-hydroxyethyl)-5,9,13,15-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione

Statements

Identifiers

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