(Q105115078)

English

8,20-Dihydroxy-17-(1-hydroxyethylidene)-4,12-dimethyl-5-(1,2,3,4-tetrahydroxy-5-methoxypentylidene)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1,3,7,9(21),11,13,15,19-octaene-6,10,18-trione

group of stereoisomers with the chemical formula C₃₁H₂₈O₁₁

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

576.163161716 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₂₈O₁₁

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canonical SMILES

O=C1C=C(C2=C3C=CC(C(=O)C3=C(O)C=4C=5C=C(C(C(=O)C5C(O)=C1C42)=C(O)C(O)C(O)C(O)COC)C)=C(O)C)C

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found in taxon

Clostridium puniceum

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stated in

Plant pathogenic anaerobic bacteria use aromatic polyketides to access aerobic territory

Identifiers

InChI

InChI=1S/C31H28O11/c1-10-7-15-20-24-18(14-6-5-13(12(3)32)25(35)21(14)28(20)38)11(2)8-16(33)23(24)29(39)22(15)27(37)19(10)30(40)31(41)26(36)17(34)9-42-4/h5-8,17,26,31-32,34,36,38-41H,9H2,1-4H3

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InChIKey

ILBUMWPMBSLENO-UHFFFAOYSA-N

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1 reference

17 September 2022

inferred from InChIKey

ChEBI ID

227398

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C31H28O11/c1-10-7-15-20-24-18(14-6-5-13(12(3)32)25(35)21(14)28(20)38)11(2)8-16(33)23(24)29(39)22(15)27(37)19(10)30(40)31(41)26(36)17(34)9-42-4/h5-8,17,26,31-32,34,36,38-41H,9H2,1-4H3

1 reference

Natural Product Atlas ID

NPA017523

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

ILBUMWPMBSLENO-UHFFFAOYSA-N

(Q105115078)

8,20-Dihydroxy-17-(1-hydroxyethylidene)-4,12-dimethyl-5-(1,2,3,4-tetrahydroxy-5-methoxypentylidene)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1,3,7,9(21),11,13,15,19-octaene-6,10,18-trione

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