(Q105016228)

English

(14Z)-9-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-7-hydroxy-10-(2-hydroxyethyl)-2,8,12,16-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadec-14-ene-5,13-dione

group of stereoisomers with the chemical formula C₃₁H₅₃NO₉

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Statements

instance of

group of stereoisomers

0 references

1 reference

583.372032276 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₅₃NO₉

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canonical SMILES

O=C1OC(CC)C(C)C2OC2(C=CC(=O)C(C)CC(CCO)C(OC3OC(C)CC(N(C)C)C3O)C(C)C(O)C1)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\C2(C)OC2C1C

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/C31H53NO9/c1-9-25-20(5)29-31(6,41-29)12-10-23(34)17(2)14-21(11-13-33)28(19(4)24(35)16-26(36)39-25)40-30-27(37)22(32(7)8)15-18(3)38-30/h10,12,17-22,24-25,27-30,33,35,37H,9,11,13-16H2,1-8H3/b12-10-

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InChIKey

GRMXJKDVOPKCDG-BENRWUELSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GRMXJKDVOPKCDG-BENRWUELSA-N

ChEBI ID

223845

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C31H53NO9/c1-9-25-20(5)29-31(6,41-29)12-10-23(34)17(2)14-21(11-13-33)28(19(4)24(35)16-26(36)39-25)40-30-27(37)22(32(7)8)15-18(3)38-30/h10,12,17-22,24-25,27-30,33,35,37H,9,11,13-16H2,1-8H3/b12-10-

1 reference

Natural Product Atlas ID

NPA021127

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

GRMXJKDVOPKCDG-BENRWUELSA-N

(Q105016228)

(14Z)-9-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-7-hydroxy-10-(2-hydroxyethyl)-2,8,12,16-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadec-14-ene-5,13-dione

Statements

Identifiers

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