(Q104402111)

English

Samarangenin A

group of stereoisomers with the chemical formula C₃₇H₂₈O₁₈

In more languages

Statements

group of stereoisomers

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(4->8)-proanthocyanidin

1 reference

(4->8)-proanthocyanidin

8C-substituted flavan

1 reference

8C-substituted flavan

4C-substituted flavan

1 reference

4C-substituted flavan

760.127564056 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₇H₂₈O₁₈

0 references

canonical SMILES

O=C1OC2CC3=C(O)C=C(O)C(=C3OC2C4=CC(O)=C(O)C(O)=C4)C5C=6C(O)=CC(O)=CC6OC(C7=CC(O)=C(O)C(O)=C7OC8=CC1=CC(O)=C8O)C5O

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Syzygium samarangense

1 reference

Tannins and Related Compounds. CXIX. Samarangenins A and B, Novel Proanthocyanidins with Doubly Bonded Structures, from Syzygium samarangens and S. aqueum.

Identifiers

InChI=1S/C37H28O18/c38-12-5-16(40)25-22(6-12)52-35-14-7-21(45)30(48)32(50)36(14)53-23-4-11(3-20(44)29(23)47)37(51)54-24-8-13-15(39)9-17(41)26(27(25)31(35)49)34(13)55-33(24)10-1-18(42)28(46)19(43)2-10/h1-7,9,24,27,31,33,35,38-50H,8H2

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JENRLNPKDHPCHO-UHFFFAOYSA-N

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CAS Registry Number

1 reference

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

26 December 2021

matched by identifier from

JENRLNPKDHPCHO-UHFFFAOYSA-N

UniChem compound ID

1 reference

DSSTox substance ID

DTXSID401098383

1 reference

matched by identifier from

JENRLNPKDHPCHO-UHFFFAOYSA-N

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

JENRLNPKDHPCHO-UHFFFAOYSA-N

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