(Q105004438)

English

[(3aR,4R,6aS,9aR,9bS)-6a-hydroxy-9-methyl-3,6-dimethylidene-2-oxo-3a,4,5,7,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

guaiane sesquiterpenoid

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mass

376.152203108 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₄O₇

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canonical SMILES

O=C1OC2C(C1=C)C(OC(=O)C(=CCO)CO)CC(=C)C3(O)CC=C(C)C23

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isomeric SMILES

C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(=C/CO)CO)CC(=C)[C@]1(O)CC=C(C)[C@H]21

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found in taxon

Eupatorium chinense

1 reference

stated in

Seven guaianolides from Eupatorium chinense

Identifiers

InChI

InChI=1S/C20H24O7/c1-10-4-6-20(25)11(2)8-14(26-19(24)13(9-22)5-7-21)15-12(3)18(23)27-17(15)16(10)20/h4-5,14-17,21-22,25H,2-3,6-9H2,1H3/b13-5+/t14-,15-,16-,17+,20-/m1/s1

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InChIKey

FYELXSMRGZZTNO-OIECKMMNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FYELXSMRGZZTNO-OIECKMMNSA-N

(Q105004438)

[(3aR,4R,6aS,9aR,9bS)-6a-hydroxy-9-methyl-3,6-dimethylidene-2-oxo-3a,4,5,7,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate

Statements

Identifiers

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