(Q105144237)

English

[(1S,3aR,5R,5aS,6R,8aR,9S,9aR)-6-hydroxy-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydro-1H-azuleno[6,5-b]furan-9-yl] 2-(hydroxymethyl)prop-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

(6-hydroxy-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydro-1H-azuleno[6,5-b]furan-9-yl) 2-(hydroxymethyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

366.167853172 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₉H₂₆O₇

0 references

canonical SMILES

O=C(OC1C2C(OC(=O)C2C)CC(C)C3C(O)CC(=O)C13C)C(=C)CO

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isomeric SMILES

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

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found in taxon

Monactis macbridei

1 reference

stated in

Pseudoguajanolide und andere Sesquiterpene ausMonactis macbridei

Identifiers

InChI

InChI=1S/C19H26O7/c1-8-5-12-14(10(3)18(24)25-12)16(26-17(23)9(2)7-20)19(4)13(22)6-11(21)15(8)19/h8,10-12,14-16,20-21H,2,5-7H2,1,3-4H3/t8-,10+,11-,12-,14-,15-,16+,19-/m1/s1

0 references

InChIKey

KPJLVHPJLQHZBA-ZCUHRRNLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KPJLVHPJLQHZBA-ZCUHRRNLSA-N

(Q105144237)

[(1S,3aR,5R,5aS,6R,8aR,9S,9aR)-6-hydroxy-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydro-1H-azuleno[6,5-b]furan-9-yl] 2-(hydroxymethyl)prop-2-enoate

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