(Q105236403)

English

Emodacidamide D

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

427.126716632 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₁NO₈

0 references

canonical SMILES

CCC(C)C(NC(=O)c1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O)C(=O)OC

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isomeric SMILES

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

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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/C22H21NO8/c1-4-9(2)18(22(30)31-3)23-21(29)10-5-12-16(14(25)6-10)20(28)17-13(19(12)27)7-11(24)8-15(17)26/h5-9,18,24-26H,4H2,1-3H3,(H,23,29)/t9-,18-/m0/s1

0 references

InChIKey

RHIKPDQWISFYIG-YYSFKGJASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RHIKPDQWISFYIG-YYSFKGJASA-N

ChEBI ID

207639

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C22H21NO8/c1-4-9(2)18(22(30)31-3)23-21(29)10-5-12-16(14(25)6-10)20(28)17-13(19(12)27)7-11(24)8-15(17)26/h5-9,18,24-26H,4H2,1-3H3,(H,23,29)/t9-,18-/m0/s1

1 reference

Natural Product Atlas ID

NPA022341

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

RHIKPDQWISFYIG-YYSFKGJASA-N

(Q105236403)

Emodacidamide D

Statements

Identifiers

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