(Q110186615)

English

QLJVCWSHRRLCQK-QRXLMIGRSA-N

group of stereoisomers with the chemical formula C₄₂H₅₄O₂₀

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

878.320844128 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₂H₅₄O₂₀

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canonical SMILES

O=C(OC1C(OC(OC2C3=C(OC)C=4C=C(C5=C(OC6(OC7OC(C)C(O)(C(O)C)C(O)C7)C8OC(OC58)(C(OC)OC)C96OC9)C4C(O)=C3C(=O)C(O)C2)C)CC1(O)C)C)C

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isomeric SMILES

COc1c2c(c(O)c3c4c(c(C)cc13)C1OC3(C(OC)OC)OC1C(OC1CC(O)[C@@](O)(C(C)O)C(C)O1)(O4)C31CO1)C(=O)C(O)CC2OC1C[C@@](C)(O)C(OC(C)=O)C(C)O1

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found in taxon

Streptomyces bottropensis

2 references

stated in

Trioxacarcins, novel antitumor antibiotics. I. Producing organism, fermentation and biological activities

stated in

Trioxacarcins, novel antitumor antibiotics. II. Isolation, physico-chemical properties and mode of action

Identifiers

InChI

InChI=1S/C42H54O20/c1-15-10-20-27(31(48)29-28(32(20)51-7)22(11-21(45)30(29)47)58-25-13-38(6,49)35(16(2)55-25)57-19(5)44)33-26(15)34-36-41(60-33,39(14-54-39)42(61-34,62-36)37(52-8)53-9)59-24-12-23(46)40(50,17(3)43)18(4)56-24/h10,16-18,21-25,34-37,43,45-46,48-50H,11-14H2,1-9H3/t16?,17?,18?,21?,22?,23?,24?,25?,34?,35?,36?,38-,39?,40-,41?,42?/m1/s1

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InChIKey

QLJVCWSHRRLCQK-QRXLMIGRSA-N

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1 reference

15 September 2022

1 reference

(Q110186615)

QLJVCWSHRRLCQK-QRXLMIGRSA-N

Statements

Identifiers

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