(Q104402229)

English

JMJXWSOEKNACTH-UHFFFAOYSA-N

group of stereoisomers with the chemical formula C₇₅H₅₂O₄₈

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Statements

group of stereoisomers

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chemical compound

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1,720.162803424 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₇₅H₅₂O₄₈

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canonical SMILES

O=C1OCC2OC3OC(=O)C4=CC(O)=C(O)C(O)=C4OC=5C=C6C(=O)OCC7OC(O)C(OC(=O)C8=CC(O)=C(O)C(O)=C8OC=9C=C(C(=O)OC2C(OC(=O)C%10=CC(O)=C(O)C(O)=C%10)C3OC(=O)C%11=CC(O)=C(O)C(O)=C%11)C(=C(O)C9O)C%12=C(O)C(O)=C(O)C=C1%12)C(OC(=O)C%13=CC(O)=C(O)C(O)=C%13)C7OC(=O)C%14=CC(O)=C(O)C(O)=C%14C6=C(O)C5O

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Loropetalum chinense

1 reference

Hydrolysable tannins from Loropetalum chinense

Camellia sasanqua

1 reference

Tannins of theaceous plants. II. Camelliins A and B, two new dimeric hydrolyzable tannins from flower buds of Camellia japonica L. and Camellia sasanqua Thunb.

Polyspora axillaris

1 reference

Camelliin B induced apoptosis in HeLa cell line

Camellia japonica

1 reference

Camelliin B and nobotanin I, macrocyclic ellagitannin dimers and related dimers, and their antitumor activity

Camellia oleifera

1 reference

Tannins of theaceous plants. II. Camelliins A and B, two new dimeric hydrolyzable tannins from flower buds of Camellia japonica L. and Camellia sasanqua Thunb.

Identifiers

InChI=1S/C75H52O48/c76-24-1-15(2-25(77)42(24)86)65(101)119-61-59-36-13-111-69(105)20-11-34(49(93)53(97)40(20)39-19(70(106)117-59)8-31(83)46(90)52(39)96)113-58-23(10-33(85)48(92)56(58)100)73(109)123-75-64(122-67(103)17-5-28(80)44(88)29(81)6-17)62(120-66(102)16-3-26(78)43(87)27(79)4-16)60-37(116-75)14-112-68(104)18-7-30(82)45(89)51(95)38(18)41-21(71(107)118-60)12-35(50(94)54(41)98)114-57-22(9-32(84)47(91)55(57)99)72(108)121-63(61)74(110)115-36/h1-12,36-37,59-64,74-100,110H,13-14H2

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JMJXWSOEKNACTH-UHFFFAOYSA-N

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3 references

26 December 2021

15 September 2022

matched by identifier from

JMJXWSOEKNACTH-UHFFFAOYSA-N

UniChem compound ID

1 reference

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

JMJXWSOEKNACTH-UHFFFAOYSA-N

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