(Q105150773)

English

(1R,18R,19R,31S)-7,19,23,25-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(16),4(13),6(11),7,9,14,22,24(29),25,27-decaene-5,12,21-trione

group of stereoisomers with the chemical formula C₃₂H₂₄O₉

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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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]4C31C(=C(O)c1c(O)cccc12)C(=O)C[C@@]4(C)O

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found in taxon

Streptomyces

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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/h4-10,13,29,33-34,38-39H,11H2,1-3H3/t13-,29+,30+,31?,32+/m0/s1

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InChIKey

LESRGCZNXLXQQQ-KKHWMGNSSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LESRGCZNXLXQQQ-KKHWMGNSSA-N

ChEBI ID

225821

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

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/h4-10,13,29,33-34,38-39H,11H2,1-3H3/t13-,29+,30+,31?,32+/m0/s1

1 reference

Natural Product Atlas ID

NPA017151

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

LESRGCZNXLXQQQ-KKHWMGNSSA-N

(Q105150773)

(1R,18R,19R,31S)-7,19,23,25-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(16),4(13),6(11),7,9,14,22,24(29),25,27-decaene-5,12,21-trione

Statements

Identifiers

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