(Q105265256)

English

Naphthalenecarboxylate B

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

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mass

394.089996776 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₈H₁₈O₁₀

0 references

canonical SMILES

O=C(O)C=1C=CC2=C(OC3OC(C(=O)O)C(O)C(O)C3O)C(=CC(O)=C2C1)C

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isomeric SMILES

Cc1cc(O)c2cc(C(=O)O)ccc2c1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O

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found in taxon

Streptomyces

1 reference

stated in

Isolation and Identification of Secondary Metabolites FromStreptomycessp. SP301

Identifiers

InChI

InChI=1S/C18H18O10/c1-6-4-10(19)9-5-7(16(23)24)2-3-8(9)14(6)27-18-13(22)11(20)12(21)15(28-18)17(25)26/h2-5,11-13,15,18-22H,1H3,(H,23,24)(H,25,26)/t11-,12-,13+,15-,18+/m0/s1

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InChIKey

TVFPZHZGPPUOSD-FRTWLMODSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

TVFPZHZGPPUOSD-FRTWLMODSA-N

ChEBI ID

211803

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C18H18O10/c1-6-4-10(19)9-5-7(16(23)24)2-3-8(9)14(6)27-18-13(22)11(20)12(21)15(28-18)17(25)26/h2-5,11-13,15,18-22H,1H3,(H,23,24)(H,25,26)/t11-,12-,13+,15-,18+/m0/s1

1 reference

Natural Product Atlas ID

NPA027124

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

TVFPZHZGPPUOSD-FRTWLMODSA-N

(Q105265256)

Naphthalenecarboxylate B

Statements

Identifiers

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