(Q105270175)

English

Emodacidamide B

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

3-Methyl-2-[(4,5,7-trihydroxy-9,10-dioxoanthracene-2-carbonyl)amino]butanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

399.095416504 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₁₇NO₈

0 references

canonical SMILES

CC(C)C(NC(=O)c1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O)C(=O)O

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isomeric SMILES

CC(C)[C@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O)C(=O)O

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found in taxon

Penicillium

1 reference

stated in

Amino Acid Conjugated Anthraquinones from the Marine-Derived Fungus Penicillium sp. SCSIO sof101.

Identifiers

InChI

InChI=1S/C20H17NO8/c1-7(2)16(20(28)29)21-19(27)8-3-10-14(12(23)4-8)18(26)15-11(17(10)25)5-9(22)6-13(15)24/h3-7,16,22-24H,1-2H3,(H,21,27)(H,28,29)/t16-/m0/s1

0 references

InChIKey

UCVOTAWBWPEXMD-INIZCTEOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UCVOTAWBWPEXMD-INIZCTEOSA-N

ChEBI ID

207628

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C20H17NO8/c1-7(2)16(20(28)29)21-19(27)8-3-10-14(12(23)4-8)18(26)15-11(17(10)25)5-9(22)6-13(15)24/h3-7,16,22-24H,1-2H3,(H,21,27)(H,28,29)/t16-/m0/s1

1 reference

Natural Product Atlas ID

NPA022339

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

UCVOTAWBWPEXMD-INIZCTEOSA-N

(Q105270175)

Emodacidamide B

Statements

Identifiers

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