(Q104986753)

English

1-epi-citrinin H1

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

3-(11-Hydroxy-4,12,14,15-tetramethyl-3,6-dioxo-8,16-dioxatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),4,9(17),10,12-pentaen-5-yl)butan-2-yl formate

1 reference

based on heuristic

inferred from SMILES

mass

426.167853172 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2R,3S)-3-[(1R,14S,15R)-11-hydroxy-4,12,14,15-tetramethyl-3,6-dioxo-8,16-dioxatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),4,9(17),10,12-pentaen-5-yl]butan-2-yl] formate

1 reference

based on heuristic

inferred from InChI

[(2R,3R)-3-[(1S,14R,15S)-11-hydroxy-4,12,14,15-tetramethyl-3,6-dioxo-8,16-dioxatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),4,9(17),10,12-pentaen-5-yl]butan-2-yl] formate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₄H₂₆O₇

0 references

canonical SMILES

O=COC(C)C(C=1C(=O)C=2OC3=CC(O)=C(C4=C3C(OC(C)C4C)C2C(=O)C1C)C)C

0 references

isomeric SMILES

CC1=C([C@H](C)[C@@H](C)OC=O)C(=O)C2=C(C1=O)[C@H]1O[C@H](C)[C@@H](C)c3c(C)c(O)cc(c31)O2

0 references

found in taxon

Penicillium citrinum

1 reference

stated in

Citrinin Monomer and Dimer Derivatives with Antibacterial and Cytotoxic Activities Isolated from the Deep Sea-Derived Fungus NLG-S01-P1

Identifiers

InChI

InChI=1S/C24H26O7/c1-9(13(5)29-8-25)18-12(4)21(27)20-23-19-16(31-24(20)22(18)28)7-15(26)11(3)17(19)10(2)14(6)30-23/h7-10,13-14,23,26H,1-6H3/t9-,10-,13-,14-,23+/m1/s1

0 references

InChIKey

DPWQFCNWSJVFTQ-JCCUDNOASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DPWQFCNWSJVFTQ-JCCUDNOASA-N

ChEBI ID

207733

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C24H26O7/c1-9(13(5)29-8-25)18-12(4)21(27)20-23-19-16(31-24(20)22(18)28)7-15(26)11(3)17(19)10(2)14(6)30-23/h7-10,13-14,23,26H,1-6H3/t9-,10-,13-,14-,23+/m1/s1

1 reference

Natural Product Atlas ID

NPA026445

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

DPWQFCNWSJVFTQ-JCCUDNOASA-N

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