(Q105328222)

English

(2S,3S)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-8-(2-hydroxyethyl)-2-methyl-4,9-dihydro-3H-pyrano[2,3-e]isoindol-7-one

chemical compound

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instance of

type of chemical entity

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subclass of

2-(4,8-dimethylnona-3,7-dienyl)-3,5-dihydroxy-8-(2-hydroxyethyl)-2-methyl-4,9-dihydro-3H-pyrano[2,3-e]isoindol-7-one

1 reference

based on heuristic

inferred from SMILES

mass

429.25152322 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-8-(2-hydroxyethyl)-2-methyl-4,9-dihydro-3H-pyrano[2,3-e]isoindol-7-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₅NO₅

0 references

canonical SMILES

O=C1C2=CC(O)=C3C(OC(C)(CCC=C(C)CCC=C(C)C)C(O)C3)=C2CN1CCO

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isomeric SMILES

CC(C)=CCC/C(C)=C/CC[C@]1(C)Oc2c(c(O)cc3c2CN(CCO)C3=O)C[C@@H]1O

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found in taxon

Stachybotrys microspora

1 reference

stated in

SMTP-1 and -2, novel analogs of staplabin produced by Stachybotrys microspora IFO30018

Stachybotrys microsporus

1 reference

stated in

SMTP-1 and -2, novel analogs of staplabin produced by Stachybotrys microspora IFO30018

Identifiers

InChI

InChI=1S/C25H35NO5/c1-16(2)7-5-8-17(3)9-6-10-25(4)22(29)14-19-21(28)13-18-20(23(19)31-25)15-26(11-12-27)24(18)30/h7,9,13,22,27-29H,5-6,8,10-12,14-15H2,1-4H3/b17-9+/t22-,25-/m0/s1

0 references

InChIKey

XHODRTXQJFAAJR-QALCPVIXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XHODRTXQJFAAJR-QALCPVIXSA-N

1 reference

(Q105328222)

(2S,3S)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-8-(2-hydroxyethyl)-2-methyl-4,9-dihydro-3H-pyrano[2,3-e]isoindol-7-one

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