(Q105221164)

English

(1R,17S,18R,19R,31S)-7,19,21,25-tetrahydroxy-9,19,31-trimethyl-2,30-dioxaoctacyclo[16.11.2.0¹,¹⁷.0³,¹⁶.0⁴,¹³.0⁶,¹¹.0¹⁷,²².0²⁴,²⁹]hentriaconta-3,6,8,10,13,15,21,24,26,28-decaene-5,12,23-trione

chemical compound

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instance of

type of chemical entity

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subclass of

7,19,21,25-tetrahydroxy-9,19,31-trimethyl-2,30-dioxaoctacyclo[16.11.2.0¹,¹⁷.0³,¹⁶.0⁴,¹³.0⁶,¹¹.0¹⁷,²².0²⁴,²⁹]hentriaconta-3,6,8,10,13,15,21,24,26,28-decaene-5,12,23-trione

1 reference

based on heuristic

inferred from SMILES

mass

552.142032348 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₂₄O₉

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canonical SMILES

O=C1C2=CC=C3C(OC45OC(C)C6C(O)(C)CC(O)=C(C(=O)C=7C(O)=CC=CC74)C365)=C2C(=O)C8=C(O)C=C(C=C18)C

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isomeric SMILES

Cc1cc(O)c2c(c1)C(=O)c1ccc3c(c1C2=O)O[C@@]12O[C@@H](C)[C@H]4[C@@]31C(=C(O)C[C@@]4(C)O)C(=O)c1c(O)cccc12

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found in taxon

Ecteinascidia turbinata

1 reference

stated in

Antibiotic bisanthraquinones produced by a streptomycete isolated from a cyanobacterium associated with Ecteinascidia turbinata

Identifiers

InChI

InChI=1S/C32H24O9/c1-12-9-15-21(19(34)10-12)26(37)22-14(25(15)36)7-8-17-28(22)41-32-16-5-4-6-18(33)23(16)27(38)24-20(35)11-30(3,39)29(13(2)40-32)31(17,24)32/h4-10,13,29,33-35,39H,11H2,1-3H3/t13-,29+,30+,31-,32+/m0/s1

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InChIKey

QHVNYJIFSJQQAS-WDTUAYOASA-N

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(Q105221164)

(1R,17S,18R,19R,31S)-7,19,21,25-tetrahydroxy-9,19,31-trimethyl-2,30-dioxaoctacyclo[16.11.2.0¹,¹⁷.0³,¹⁶.0⁴,¹³.0⁶,¹¹.0¹⁷,²².0²⁴,²⁹]hentriaconta-3,6,8,10,13,15,21,24,26,28-decaene-5,12,23-trione

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