(Q106040390)

English

polymatin A

chemical compound

(3E)-3-{[(4-methyl-5-oxo-2,5-dihydrofuran-2-yl)oxy]methylidene}-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one

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Statements

type of chemical entity

0 references

germacrane sesquiterpenoid

1 reference

based on heuristic

inferred from SMILES

390.167853172 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₆O₇

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C=C1C(=O)OC2C=C(C)CCC=C(C(=O)OC)C(O)C(OC(=O)C(C)=CC)C12

1 reference

based on heuristic

inferred from isomeric SMILES

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

1 reference

based on heuristic

inferred from InChI

Identifiers

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

1 reference

ChEBI release 2021-03-01

GPNBBLNJDPYZAB-CCBFTCNTSA-N

1 reference

ChEBI release 2021-03-01

1 reference

ChEBI release 2021-03-01

mapping relation type

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ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

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

UniChem compound ID

1 reference

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