(Q105198580)

English

(Z)-3-[(1R,2S)-6-[(5R,6S)-5-[(Z)-2-carboxy-1-methoxyethenyl]-1,6,9-trihydroxy-6-methyl-8-oxo-5,7-dihydroanthracen-2-yl]-2,5,10-trihydroxy-2-methyl-4-oxo-1,3-dihydroanthracen-1-yl]-3-methoxyprop-2-enoic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

714.194855768 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₈H₃₄O₁₄

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canonical SMILES

O=C(O)C=C(OC)C1C=2C=C3C=CC(=C(O)C3=C(O)C2C(=O)CC1(O)C)C=4C=CC5=CC6=C(C(=O)CC(O)(C)C6C(OC)=CC(=O)O)C(O)=C5C4O

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isomeric SMILES

CO/C(=C\C(=O)O)[C@@H]1c2cc3ccc(-c4ccc5cc6c(c(O)c5c4O)C(=O)C[C@](C)(O)[C@@H]6/C(=C/C(=O)O)OC)c(O)c3c(O)c2C(=O)C[C@]1(C)O

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found in taxon

Streptomyces spectabilis

1 reference

stated in

Spectomycins, new antibacterial compounds produced by Streptomyces spectabilis: isolation, structures, and biosynthesis

Identifiers

InChI

InChI=1S/C38H34O14/c1-37(49)13-21(39)29-19(31(37)23(51-3)11-25(41)42)9-15-5-7-17(33(45)27(15)35(29)47)18-8-6-16-10-20-30(36(48)28(16)34(18)46)22(40)14-38(2,50)32(20)24(52-4)12-26(43)44/h5-12,31-32,45-50H,13-14H2,1-4H3,(H,41,42)(H,43,44)/b23-11-,24-12-/t31-,32-,37-,38-/m0/s1

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InChIKey

ORXVKHNPIHZPEJ-IPIOCVQCSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105198580)

(Z)-3-[(1R,2S)-6-[(5R,6S)-5-[(Z)-2-carboxy-1-methoxyethenyl]-1,6,9-trihydroxy-6-methyl-8-oxo-5,7-dihydroanthracen-2-yl]-2,5,10-trihydroxy-2-methyl-4-oxo-1,3-dihydroanthracen-1-yl]-3-methoxyprop-2-enoic acid

Statements

Identifiers

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