(Q105348573)

English

2-[[(1S,4aR,5S,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-3-hydroxy-5-(hydroxymethyl)cyclohexa-2,5-diene-1,4-dione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3-hydroxy-5-(hydroxymethyl)-2-[[5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]cyclohexa-2,5-diene-1,4-dione

1 reference

based on heuristic

inferred from SMILES

mass

374.20932406 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₀O₅

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canonical SMILES

O=C1C=C(C(=O)C(O)=C1CC2C(=C)CCC3C(C)(CO)CCCC23C)CO

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isomeric SMILES

C=C1CC[C@H]2[C@@](C)(CO)CCC[C@@]2(C)[C@H]1CC1=C(O)C(=O)C(CO)=CC1=O

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found in taxon

Phyllosticta spinarum

1 reference

stated in

Sesquiterpene quinones and related metabolites from Phyllosticta spinarum, a fungal strain endophytic in Platycladus orientalis of the Sonoran Desert

Identifiers

InChI

InChI=1S/C22H30O5/c1-13-5-6-18-21(2,12-24)7-4-8-22(18,3)16(13)10-15-17(25)9-14(11-23)19(26)20(15)27/h9,16,18,23-24,27H,1,4-8,10-12H2,2-3H3/t16-,18-,21+,22-/m0/s1

0 references

InChIKey

YHRTZMVVXZGKOK-BYZLFZLASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YHRTZMVVXZGKOK-BYZLFZLASA-N

(Q105348573)

2-[[(1S,4aR,5S,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-3-hydroxy-5-(hydroxymethyl)cyclohexa-2,5-diene-1,4-dione

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