(Q105134993)

English

Castacrenin B

group of stereoisomers with the chemical formula C₂₇H₁₈O₁₇

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

614.054399116 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₁₈O₁₇

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canonical SMILES

O=C1OC=2C(O)=C(O)C(=C3C(=O)OC4=C(O)C(O)=CC1=C4C23)C=5C(O)=C(O)C(O)=C6C5C(=O)OC7C(O)C(O)C(OC67)CO

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found in taxon

Castanea sativa

1 reference

stated in

Chestnut (Castanea sativa Miller.) Burs Extracts and Functional Compounds: UHPLC-UV-HRMS Profiling, Antioxidant Activity, and Inhibitory Effects on Phytopathogenic Fungi

Nymphaea alba

1 reference

stated in

Profile of bioactive compounds in Nymphaea alba L. leaves growing in Egypt: hepatoprotective, antioxidant and anti-inflammatory activity

Identifiers

InChI

InChI=1S/C27H18O17/c28-2-5-14(31)19(36)24-23(41-5)12-11(27(40)44-24)8(15(32)18(35)17(12)34)7-10-9-6-3(25(38)42-22(9)20(37)16(7)33)1-4(29)13(30)21(6)43-26(10)39/h1,5,14,19,23-24,28-37H,2H2

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InChIKey

JTTVTHBGPVZKHW-UHFFFAOYSA-N

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CAS Registry Number

173429-80-6

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stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

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26 December 2021

matched by identifier from

InChIKey

JTTVTHBGPVZKHW-UHFFFAOYSA-N

1 reference

Human Metabolome Database ID

HMDB0030626

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

JTTVTHBGPVZKHW-UHFFFAOYSA-N

KNApSAcK ID

C00055356

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

JTTVTHBGPVZKHW-UHFFFAOYSA-N

(Q105134993)

Castacrenin B

Statements

Identifiers

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