(Q105030189)

English

brosimone H

chemical compound

In more languages

Statements

type of chemical entity

0 references

2,6-dimethyloctane monoterpenoid

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3,8C-substituted flavone

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504.251188872 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₃₆O₆

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canonical SMILES

O=C1C2=C(O)C=C(OC)C(=C2OC(C=3C=CC(O)=CC3O)=C1CC=C(C)C)CC=C(C)CCC=C(C)C

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isomeric SMILES

COc1cc(O)c2c(=O)c(CC=C(C)C)c(-c3ccc(O)cc3O)oc2c1C/C=C(\C)CCC=C(C)C

1 reference

based on heuristic

inferred from InChI

Brosimum lactescens

1 reference

Structures of three new flavone derivatives, brosimones G, H, and I, from Brosimopsis oblongifolia

Identifiers

InChI=1S/C31H36O6/c1-18(2)8-7-9-20(5)11-14-23-27(36-6)17-26(34)28-29(35)24(13-10-19(3)4)30(37-31(23)28)22-15-12-21(32)16-25(22)33/h8,10-12,15-17,32-34H,7,9,13-14H2,1-6H3/b20-11+

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HLKOYMOJPUHOBW-RGVLZGJSSA-N

0 references

2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

HLKOYMOJPUHOBW-RGVLZGJSSA-N

mapping relation type

2 references

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI=1S/C31H36O6/c1-18(2)8-7-9-20(5)11-14-23-27(36-6)17-26(34)28-29(35)24(13-10-19(3)4)30(37-31(23)28)22-15-12-21(32)16-25(22)33/h8,10-12,15-17,32-34H,7,9,13-14H2,1-6H3/b20-11+

UniChem compound ID

1 reference

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

HLKOYMOJPUHOBW-RGVLZGJSSA-N

1 reference

HLKOYMOJPUHOBW-RGVLZGJSSA-N

17 April 2021

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

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