(Q105306459)

English

3-[[2-[(3E,5E)-2,8-dihydroxy-7-methyldeca-3,5-dienyl]-1,6,8-trimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-hydroxymethylidene]pyrrolidine-2,4-dione

group of stereoisomers with the chemical formula C₂₉H₄₃NO₅

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Statements

instance of

group of stereoisomers

0 references

1 reference

485.314123476 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₃NO₅

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canonical SMILES

CCC(O)C(C)C=CC=CC(O)CC1C=CC2CC(C)CC(C)C2C1(C)C(O)=C1C(=O)CNC1=O

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isomeric SMILES

CCC(O)C(C)/C=C/C=C/C(O)CC1C=CC2CC(C)CC(C)C2C1(C)C(O)=C1C(=O)CNC1=O

1 reference

3 references

Delaminomycins, novel extracellular matrix receptor antagonist. III. Physico-chemical properties and structure elucidation of delaminomycins B and C

stated in

Delaminomycins, novel nonpeptide extracellular matrix receptor antagonist and a new class of potent immunomodulator. I. Taxonomy, fermentation, isolation and biological activity.

stated in

Delaminomycins, novel extracellular matrix receptor antagonist. III. Physico-chemical properties and structure elucidation of delaminomycins B and C

Identifiers

InChI

InChI=1S/C29H43NO5/c1-6-23(32)18(3)9-7-8-10-22(31)15-21-12-11-20-14-17(2)13-19(4)26(20)29(21,5)27(34)25-24(33)16-30-28(25)35/h7-12,17-23,26,31-32,34H,6,13-16H2,1-5H3,(H,30,35)/b9-7+,10-8+,27-25?

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InChIKey

WIRHXGKLHQEIEM-FVSGBFEHSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WIRHXGKLHQEIEM-FVSGBFEHSA-N

ChEBI ID

212909

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C29H43NO5/c1-6-23(32)18(3)9-7-8-10-22(31)15-21-12-11-20-14-17(2)13-19(4)26(20)29(21,5)27(34)25-24(33)16-30-28(25)35/h7-12,17-23,26,31-32,34H,6,13-16H2,1-5H3,(H,30,35)/b9-7+,10-8+,27-25?

1 reference

Natural Product Atlas ID

NPA019019

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

WIRHXGKLHQEIEM-FVSGBFEHSA-N

(Q105306459)

3-[[2-[(3E,5E)-2,8-dihydroxy-7-methyldeca-3,5-dienyl]-1,6,8-trimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-hydroxymethylidene]pyrrolidine-2,4-dione

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