(Q105224059)

English

(1S,6S,7R)-aspergilloid C

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

8-oxo-4-propan-2-yl-2,3,4,4a,7,8a-hexahydro-1H-naphthalene-1,6-dicarboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

280.13107374 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₅H₂₀O₅

0 references

canonical SMILES

O=C(O)C1=CC2C(C(=O)C1)C(C(=O)O)CCC2C(C)C

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isomeric SMILES

CC(C)[C@H]1CC[C@H](C(=O)O)[C@H]2C(=O)CC(C(=O)O)=C[C@@H]21

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found in taxon

Aspergillus flavus

1 reference

stated in

Sesquiterpenes from an Endophytic Aspergillus flavus

Identifiers

InChI

InChI=1S/C15H20O5/c1-7(2)9-3-4-10(15(19)20)13-11(9)5-8(14(17)18)6-12(13)16/h5,7,9-11,13H,3-4,6H2,1-2H3,(H,17,18)(H,19,20)/t9-,10+,11-,13-/m1/s1

0 references

InChIKey

QMMHSYVPONJFRH-LSCVPOLPSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

QMMHSYVPONJFRH-LSCVPOLPSA-N

ChEBI ID

223808

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C15H20O5/c1-7(2)9-3-4-10(15(19)20)13-11(9)5-8(14(17)18)6-12(13)16/h5,7,9-11,13H,3-4,6H2,1-2H3,(H,17,18)(H,19,20)/t9-,10+,11-,13-/m1/s1

1 reference

Natural Product Atlas ID

NPA025154

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

QMMHSYVPONJFRH-LSCVPOLPSA-N

(Q105224059)

(1S,6S,7R)-aspergilloid C

Statements

Identifiers

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