(Q105141812)

English

(2E,5R,6R,7R,8E,10E)-2-Methyl-5,9-carbonyl-5,6-epoxy-7,8-[oxy(dimethylmethylene)oxymethylene]-2,8,10-hexadecatrienoic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

chemical compound

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mass

390.20423868 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₀O₆

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canonical SMILES

O=C(O)C(=CCC12OC2C3OC(OCC3=C(C=CCCCCC)C1=O)(C)C)C

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isomeric SMILES

CCCCC/C=C/C1=C2COC(C)(C)O[C@H]2[C@H]2O[C@@]2(C/C=C(\C)C(=O)O)C1=O

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found in taxon

Multiclavula

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stated in

Ambuic acid and torreyanic acid derivatives from the endolichenic fungus Pestalotiopsis sp.

Pestalotiopsis

1 reference

stated in

Ambuic acid and torreyanic acid derivatives from the endolichenic fungus Pestalotiopsis sp.

Identifiers

InChI

InChI=1S/C22H30O6/c1-5-6-7-8-9-10-15-16-13-26-21(3,4)27-17(16)19-22(28-19,18(15)23)12-11-14(2)20(24)25/h9-11,17,19H,5-8,12-13H2,1-4H3,(H,24,25)/b10-9+,14-11+/t17-,19-,22+/m1/s1

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InChIKey

KJESBKJFNPXHOA-LNZGVCCXSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KJESBKJFNPXHOA-LNZGVCCXSA-N

ChEBI ID

198455

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C22H30O6/c1-5-6-7-8-9-10-15-16-13-26-21(3,4)27-17(16)19-22(28-19,18(15)23)12-11-14(2)20(24)25/h9-11,17,19H,5-8,12-13H2,1-4H3,(H,24,25)/b10-9+,14-11+/t17-,19-,22+/m1/s1

1 reference

Natural Product Atlas ID

NPA001049

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

KJESBKJFNPXHOA-LNZGVCCXSA-N

(Q105141812)

(2E,5R,6R,7R,8E,10E)-2-Methyl-5,9-carbonyl-5,6-epoxy-7,8-[oxy(dimethylmethylene)oxymethylene]-2,8,10-hexadecatrienoic acid

Statements

Identifiers

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