(Q110168364)

English

Truncateol B

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

278.151809184 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₆H₂₂O₄

0 references

canonical SMILES

OC1C(C#CC(=C)C)CC2OC(C)(C)C(O)CC32OC13

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isomeric SMILES

C=C(C)C#C[C@H]1C[C@@H]2OC(C)(C)[C@@H](O)C[C@]23O[C@@H]3[C@@H]1O

0 references

found in taxon

Truncatella angustata

1 reference

stated in

Truncateols A–N, new isoprenylated cyclohexanols from the sponge-associated fungus Truncatella angustata with anti-H1N1 virus activities

Identifiers

InChI

InChI=1S/C16H22O4/c1-9(2)5-6-10-7-12-16(14(20-16)13(10)18)8-11(17)15(3,4)19-12/h10-14,17-18H,1,7-8H2,2-4H3/t10-,11-,12-,13+,14+,16-/m0/s1

0 references

InChIKey

PHEKSAGWYUBZTP-HFVXDEDMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PHEKSAGWYUBZTP-HFVXDEDMSA-N

ChEBI ID

204780

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C16H22O4/c1-9(2)5-6-10-7-12-16(14(20-16)13(10)18)8-11(17)15(3,4)19-12/h10-14,17-18H,1,7-8H2,2-4H3/t10-,11-,12-,13+,14+,16-/m0/s1

Natural Product Atlas ID

NPA007943

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

PHEKSAGWYUBZTP-HFVXDEDMSA-N

(Q110168364)

Truncateol B

Statements

Identifiers

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