(Q105194284)

English

5-ethenyl-15-hydroxy-3,17-dimethoxy-12-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-4,6-dimethyloxan-2-yl]-9-oxatetracyclo[8.8.0.0²,⁷.0¹¹,¹⁶]octadeca-1(10),2(7),3,5,11(16),12,14,17-octaen-8-one

chemical compound

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type of chemical entity

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subclass of

chemical compound

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mass

508.173332476 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₈H₂₈O₉

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canonical SMILES

O=C1OC2=C(C=C(OC)C=3C(O)=CC=C(C23)C4OC(C)C(O)C(O)(C)C4O)C=5C(OC)=CC(C=C)=CC15

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isomeric SMILES

C=Cc1cc(OC)c2c(c1)c(=O)oc1c2cc(OC)c2c(O)ccc([C@@H]3O[C@H](C)[C@H](O)[C@@](C)(O)[C@H]3O)c21

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found in taxon

Streptomyces

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stated in

The chemistry of the antibiotics chrysomycin A and B. Antitumor activity of chrysomycin A.

Streptomyces albaduncus

1 reference

stated in

Antitumor activity of chrysomycins M and V

Streptomyces flaveolus

1 reference

stated in

Biosynthesis of chrysomycins A and B. Origin of the chromophore

Streptomyces griseoloalbus

1 reference

stated in

Antitumor activity of chrysomycins M and V

Identifiers

InChI

InChI=1S/C28H28O9/c1-6-13-9-16-20(18(10-13)34-4)15-11-19(35-5)22-17(29)8-7-14(21(22)23(15)37-27(16)32)24-26(31)28(3,33)25(30)12(2)36-24/h6-12,24-26,29-31,33H,1H2,2-5H3/t12-,24+,25+,26+,28-/m1/s1

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InChIKey

OMDANBMKOUVKAG-WZNMFJNZSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OMDANBMKOUVKAG-WZNMFJNZSA-N

ChEBI ID

191084

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C28H28O9/c1-6-13-9-16-20(18(10-13)34-4)15-11-19(35-5)22-17(29)8-7-14(21(22)23(15)37-27(16)32)24-26(31)28(3,33)25(30)12(2)36-24/h6-12,24-26,29-31,33H,1H2,2-5H3/t12-,24+,25+,26+,28-/m1/s1

(Q105194284)

5-ethenyl-15-hydroxy-3,17-dimethoxy-12-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-4,6-dimethyloxan-2-yl]-9-oxatetracyclo[8.8.0.0²,⁷.0¹¹,¹⁶]octadeca-1(10),2(7),3,5,11(16),12,14,17-octaen-8-one

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