(Q104935053)

English

(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-[(1R,2R,5R,8S)-2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carbonyl]oxyoxane-2-carboxylic acid

chemical compound

In more languages

Statements

type of chemical entity

0 references

1-O-(1,7,7-Trimethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-4-carbonyl)hexopyranuronic acid

1 reference

based on heuristic

inferred from SMILES

410.19406792 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₀O₈

0 references

canonical SMILES

O=C(O)C1OC(OC(=O)C2=CC3CC(C)(C)CC34C2CCC4C)C(O)C(O)C1O

0 references

isomeric SMILES

C[C@@H]1CC[C@H]2C(C(=O)O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@@H]3O)=C[C@@H]3CC(C)(C)C[C@]312

0 references

Streptomyces omiyaensis

1 reference

Studies on biosynthesis of pentalenolactone. V isolation of deoxypentalenylglucuron.

Identifiers

InChI=1S/C21H30O8/c1-9-4-5-12-11(6-10-7-20(2,3)8-21(9,10)12)18(27)29-19-15(24)13(22)14(23)16(28-19)17(25)26/h6,9-10,12-16,19,22-24H,4-5,7-8H2,1-3H3,(H,25,26)/t9-,10-,12+,13+,14+,15+,16+,19+,21-/m1/s1

0 references

BFYOGFPGIVIQCC-UPUKJNKPSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C21H30O8/c1-9-4-5-12-11(6-10-7-20(2,3)8-21(9,10)12)18(27)29-19-15(24)13(22)14(23)16(28-19)17(25)26/h6,9-10,12-16,19,22-24H,4-5,7-8H2,1-3H3,(H,25,26)/t9-,10-,12+,13+,14+,15+,16+,19+,21-/m1/s1

UniChem compound ID

1 reference

Natural Product Atlas ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

BFYOGFPGIVIQCC-UPUKJNKPSA-N

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