(Q105126806)

English

(2E,5R,6R,7R,8E,10E,12E)-2-Methyl-5,9-carbonyl-5,6-epoxy-7-hydroxy-8-(hydroxymethyl)-2,8,10,12-hexadecatetraenoic 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

348.157288488 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₉H₂₄O₆

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canonical SMILES

O=C(O)C(=CCC12OC2C(O)C(=C(C=CC=CCCC)C1=O)CO)C

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isomeric SMILES

CCC/C=C/C=C/C1=C(CO)[C@@H](O)[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

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stated in

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

Identifiers

InChI

InChI=1S/C19H24O6/c1-3-4-5-6-7-8-13-14(11-20)15(21)17-19(25-17,16(13)22)10-9-12(2)18(23)24/h5-9,15,17,20-21H,3-4,10-11H2,1-2H3,(H,23,24)/b6-5+,8-7+,12-9+/t15-,17-,19+/m1/s1

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InChIKey

JFPPAMKYTXBMED-QCHQCDEVSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JFPPAMKYTXBMED-QCHQCDEVSA-N

ChEBI ID

223551

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C19H24O6/c1-3-4-5-6-7-8-13-14(11-20)15(21)17-19(25-17,16(13)22)10-9-12(2)18(23)24/h5-9,15,17,20-21H,3-4,10-11H2,1-2H3,(H,23,24)/b6-5+,8-7+,12-9+/t15-,17-,19+/m1/s1

1 reference

Natural Product Atlas ID

NPA016634

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

JFPPAMKYTXBMED-QCHQCDEVSA-N

(Q105126806)

(2E,5R,6R,7R,8E,10E,12E)-2-Methyl-5,9-carbonyl-5,6-epoxy-7-hydroxy-8-(hydroxymethyl)-2,8,10,12-hexadecatetraenoic acid

Statements

Identifiers

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