(Q104397228)

English

Citrusin B

group of stereoisomers with the chemical formula C₂₇H₃₆O₁₃

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Statements

instance of

group of stereoisomers

0 references

subclass of

chemical compound

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mass

568.215591212 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₆O₁₃

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canonical SMILES

OCC=CC1=CC(OC)=C(OC(CO)C(O)C2=CC=C(OC3OC(CO)C(O)C(O)C3O)C(OC)=C2)C(OC)=C1

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isomeric SMILES

COc1cc(C(O)C(CO)Oc2c(OC)cc(/C=C\CO)cc2OC)ccc1OC1OC(CO)C(O)C(O)C1O

1 reference

1 reference

A lupane-triterpene and a 3(2→1)abeolupane glucoside from Hovenia trichocarea

Identifiers

InChI

InChI=1S/C27H36O13/c1-35-17-11-15(6-7-16(17)39-27-25(34)24(33)23(32)21(13-30)40-27)22(31)20(12-29)38-26-18(36-2)9-14(5-4-8-28)10-19(26)37-3/h4-7,9-11,20-25,27-34H,8,12-13H2,1-3H3/b5-4-

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InChIKey

XMGKCJUCYBLMBY-PLNGDYQASA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

XMGKCJUCYBLMBY-PLNGDYQASA-N

ChEBI ID

176070

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C27H36O13/c1-35-17-11-15(6-7-16(17)39-27-25(34)24(33)23(32)21(13-30)40-27)22(31)20(12-29)38-26-18(36-2)9-14(5-4-8-28)10-19(26)37-3/h4-7,9-11,20-25,27-34H,8,12-13H2,1-3H3/b5-4-

1 reference

Human Metabolome Database ID

HMDB0039231

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

XMGKCJUCYBLMBY-PLNGDYQASA-N

(Q104397228)

Citrusin B

Statements

Identifiers

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