(Q105165571)

English

Emodacidamide A

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]butanoate

1 reference

based on heuristic

inferred from SMILES

mass

413.111066568 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₁₉NO₈

0 references

canonical SMILES

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

0 references

isomeric SMILES

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

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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/C21H19NO8/c1-8(2)17(21(29)30-3)22-20(28)9-4-11-15(13(24)5-9)19(27)16-12(18(11)26)6-10(23)7-14(16)25/h4-8,17,23-25H,1-3H3,(H,22,28)/t17-/m0/s1

0 references

InChIKey

MJPQABXBKRQYAG-KRWDZBQOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MJPQABXBKRQYAG-KRWDZBQOSA-N

ChEBI ID

207623

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C21H19NO8/c1-8(2)17(21(29)30-3)22-20(28)9-4-11-15(13(24)5-9)19(27)16-12(18(11)26)6-10(23)7-14(16)25/h4-8,17,23-25H,1-3H3,(H,22,28)/t17-/m0/s1

1 reference

Natural Product Atlas ID

NPA022338

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

MJPQABXBKRQYAG-KRWDZBQOSA-N

(Q105165571)

Emodacidamide A

Statements

Identifiers

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