(Q105346833)

English

(1R,18R,31S)-7,23,25-trihydroxy-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),7,9,14,19,22,24(29),25,27-undecaene-5,12,21-trione

group of stereoisomers with the chemical formula C₃₂H₂₂O₈

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

534.131467664 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₂₂O₈

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canonical SMILES

O=C1C=C(C)C2C(OC34OC5=C6C(=O)C7=C(O)C=C(C=C7C(=O)C6=CC=C5C24C1=C(O)C=8C(O)=CC=CC83)C)C

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isomeric SMILES

CC1=CC(=O)C2=C(O)c3c(O)cccc3[C@@]34Oc5c(ccc6c5C(=O)c5c(O)cc(C)cc5C6=O)C23[C@@H]1[C@H](C)O4

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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/C32H22O8/c1-12-9-16-22(20(34)10-12)28(37)23-15(27(16)36)7-8-18-30(23)40-32-17-5-4-6-19(33)24(17)29(38)26-21(35)11-13(2)25(14(3)39-32)31(18,26)32/h4-11,14,25,33-34,38H,1-3H3/t14-,25-,31?,32+/m0/s1

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InChIKey

YDMUHLKWZINQFC-MFHOVDBWSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YDMUHLKWZINQFC-MFHOVDBWSA-N

ChEBI ID

201185

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C32H22O8/c1-12-9-16-22(20(34)10-12)28(37)23-15(27(16)36)7-8-18-30(23)40-32-17-5-4-6-19(33)24(17)29(38)26-21(35)11-13(2)25(14(3)39-32)31(18,26)32/h4-11,14,25,33-34,38H,1-3H3/t14-,25-,31?,32+/m0/s1

1 reference

Natural Product Atlas ID

NPA004214

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

YDMUHLKWZINQFC-MFHOVDBWSA-N

(Q105346833)

(1R,18R,31S)-7,23,25-trihydroxy-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),7,9,14,19,22,24(29),25,27-undecaene-5,12,21-trione

Statements

Identifiers

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