(Q105187801)

English

3-[[(3S,3aS,4R)-4-hydroxy-4-[(1S)-1-hydroxy-2-methylpropyl]-3,6-dimethyl-5-oxo-2,3-dihydro-1H-pentalen-3a-yl]methyl]-4-hydroxy-5-methylchromen-2-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

biogenic coumarin

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mass

426.20423868 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₀O₆

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canonical SMILES

O=C1OC2=CC=CC(=C2C(O)=C1CC34C(=C(C(=O)C3(O)C(O)C(C)C)C)CCC4C)C

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isomeric SMILES

CC1=C2CC[C@H](C)[C@]2(Cc2c(O)c3c(C)cccc3oc2=O)[C@@](O)([C@@H](O)C(C)C)C1=O

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found in taxon

Aphyllocladus denticulatus

1 reference

stated in

5-Methylcoumarin derivatives from Aphyllocladus denticulatus

Identifiers

InChI

InChI=1S/C25H30O6/c1-12(2)21(27)25(30)22(28)15(5)17-10-9-14(4)24(17,25)11-16-20(26)19-13(3)7-6-8-18(19)31-23(16)29/h6-8,12,14,21,26-27,30H,9-11H2,1-5H3/t14-,21-,24-,25+/m0/s1

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InChIKey

NZABRXWYTMPBTJ-LKPSVJFSSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NZABRXWYTMPBTJ-LKPSVJFSSA-N

(Q105187801)

3-[[(3S,3aS,4R)-4-hydroxy-4-[(1S)-1-hydroxy-2-methylpropyl]-3,6-dimethyl-5-oxo-2,3-dihydro-1H-pentalen-3a-yl]methyl]-4-hydroxy-5-methylchromen-2-one

Statements

Identifiers

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