(Q104986645)

English

(2R,3S)-2-[(7S,8R)-8-[(3E)-4,8-dimethylnona-3,7-dienyl]-5,7-dihydroxy-8-methyl-3-oxo-1,6,7,9-tetrahydrobenzo[e]isoindol-2-yl]-3-hydroxybutanoic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-[8-(4,8-dimethylnona-3,7-dien-1-yl)-5,7-dihydroxy-8-methyl-3-oxo-1H,6H,7H,9H-cyclohexa[e]isoindol-2-yl]-3-hydroxybutanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

485.277737968 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₉NO₆

0 references

canonical SMILES

O=C(O)C(N1C(=O)C2=CC(O)=C3C(=C2C1)CC(C)(CCC=C(C)CCC=C(C)C)C(O)C3)C(O)C

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isomeric SMILES

CC(C)=CCC/C(C)=C/CC[C@]1(C)Cc2c(c(O)cc3c2CN([C@@H](C(=O)O)[C@H](C)O)C3=O)C[C@@H]1O

0 references

found in taxon

Stachybotrys longispora

1 reference

stated in

Producing Novel Fibrinolytic Isoindolinone Derivatives in Marine Fungus Stachybotrys longispora FG216 by the Rational Supply of Amino Compounds According to Its Biosynthesis Pathway

Identifiers

InChI

InChI=1S/C28H39NO6/c1-16(2)8-6-9-17(3)10-7-11-28(5)14-21-19(13-24(28)32)23(31)12-20-22(21)15-29(26(20)33)25(18(4)30)27(34)35/h8,10,12,18,24-25,30-32H,6-7,9,11,13-15H2,1-5H3,(H,34,35)/b17-10+/t18-,24-,25+,28+/m0/s1

0 references

InChIKey

DPPLDRGYWWTAQV-DJQOJVAWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DPPLDRGYWWTAQV-DJQOJVAWSA-N

ChEBI ID

212769

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C28H39NO6/c1-16(2)8-6-9-17(3)10-7-11-28(5)14-21-19(13-24(28)32)23(31)12-20-22(21)15-29(26(20)33)25(18(4)30)27(34)35/h8,10,12,18,24-25,30-32H,6-7,9,11,13-15H2,1-5H3,(H,34,35)/b17-10+/t18-,24-,25+,28+/m0/s1

1 reference

Natural Product Atlas ID

NPA023211

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

DPPLDRGYWWTAQV-DJQOJVAWSA-N

(Q104986645)

(2R,3S)-2-[(7S,8R)-8-[(3E)-4,8-dimethylnona-3,7-dienyl]-5,7-dihydroxy-8-methyl-3-oxo-1,6,7,9-tetrahydrobenzo[e]isoindol-2-yl]-3-hydroxybutanoic acid

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