(Q105015002)

English

methyl (3aS,4S,5S,6E,10E,11aR)-5-hydroxy-10-methyl-4-[(E)-2-methylbut-2-enoyl]oxy-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

Methyl 5-hydroxy-10-methyl-4-(2-methylbut-2-enoyloxy)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

390.167853172 dalton

1 reference

2 references

inferred from InChIKey

1 reference

C₂₁H₂₆O₇

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canonical SMILES

O=C(OC)C1=CCCC(=CC2OC(=O)C(=C)C2C(OC(=O)C(=CC)C)C1O)C

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isomeric SMILES

C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(/C(=O)OC)[C@H](O)[C@@H](OC(=O)/C(C)=C/C)[C@@H]12

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found in taxon

Enydra fluctuans

1 reference

stated in

Melampolides from Enydra anagallis

Identifiers

InChI

InChI=1S/C21H26O7/c1-6-12(3)19(23)28-18-16-13(4)20(24)27-15(16)10-11(2)8-7-9-14(17(18)22)21(25)26-5/h6,9-10,15-18,22H,4,7-8H2,1-3,5H3/b11-10+,12-6+,14-9+/t15-,16+,17+,18+/m1/s1

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InChIKey

GPNBBLNJDPYZAB-FWYOAMBJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GPNBBLNJDPYZAB-FWYOAMBJSA-N

(Q105015002)

methyl (3aS,4S,5S,6E,10E,11aR)-5-hydroxy-10-methyl-4-[(E)-2-methylbut-2-enoyl]oxy-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate

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Identifiers

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