(Q105101753)

English

Emodacidamide H

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

2-[(4,5,7-Trihydroxy-9,10-dioxoanthracene-2-carbonyl)amino]propanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

371.064116376 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₈H₁₃NO₈

0 references

canonical SMILES

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

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isomeric SMILES

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/C18H13NO8/c1-6(18(26)27)19-17(25)7-2-9-13(11(21)3-7)16(24)14-10(15(9)23)4-8(20)5-12(14)22/h2-6,20-22H,1H3,(H,19,25)(H,26,27)/t6-/m0/s1

0 references

InChIKey

BXZNLRLFJBHUCM-LURJTMIESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BXZNLRLFJBHUCM-LURJTMIESA-N

ChEBI ID

207666

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C18H13NO8/c1-6(18(26)27)19-17(25)7-2-9-13(11(21)3-7)16(24)14-10(15(9)23)4-8(20)5-12(14)22/h2-6,20-22H,1H3,(H,19,25)(H,26,27)/t6-/m0/s1

1 reference

Natural Product Atlas ID

NPA022345

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

BXZNLRLFJBHUCM-LURJTMIESA-N

(Q105101753)

Emodacidamide H

Statements

Identifiers

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