(Q75053473)

English

Spirangien G

bioactive natural product

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No label defined

No description defined

Statements

type of chemical entity

0 references

16-[2-(3,8-Dihydroxy-4,6-dimethyloct-6-en-2-yl)-11-hydroxy-4-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]-15-hydroxy-3-methoxy-14-methylheptadeca-4,6,8,10,12-pentaenoic acid

1 reference

based on heuristic

inferred from SMILES

718.465598312 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₁H₆₆O₁₀

0 references

canonical SMILES

O=C(O)CC(OC)C=CC=CC=CC=CC=CC(C)C(O)C(C)C1OC2(OC(C(C)C(O)C(C)CC(=CCO)C)C(C)C(OC)C2)C(O)CC1C

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isomeric SMILES

C[C@H]1C[C@@H]([C@]2(C[C@H]([C@H]([C@H](O2)[C@H](C)[C@H]([C@@H](C)C/C(=C/CO)/C)O)C)OC)O[C@@H]1[C@@H](C)[C@H]([C@@H](C)/C=C\C=C\C=C/C=C/C=C\[C@H](CC(=O)O)OC)O)O

0 references

Sorangium cellulosum

1 reference

Spirangien Derivatives from the MyxobacteriumSorangium cellulosum: Isolation, Structure Elucidation, and Biological Activity

Identifiers

InChI=1S/C41H66O10/c1-26(20-21-42)22-28(3)38(47)32(7)40-30(5)34(49-9)25-41(51-40)35(43)23-29(4)39(50-41)31(6)37(46)27(2)18-16-14-12-10-11-13-15-17-19-33(48-8)24-36(44)45/h10-20,27-35,37-40,42-43,46-47H,21-25H2,1-9H3,(H,44,45)/b11-10-,14-12+,15-13+,18-16-,19-17-,26-20+/t27-,28-,29-,30+,31-,32+,33+,34+,35-,37-,38-,39-,40-,41+/m0/s1

0 references

STVCQEJBQVSPCR-RDDIVXQQSA-N

0 references

2 references

language of work or name

matched by identifier from

STVCQEJBQVSPCR-RDDIVXQQSA-N

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C41H66O10/c1-26(20-21-42)22-28(3)38(47)32(7)40-30(5)34(49-9)25-41(51-40)35(43)23-29(4)39(50-41)31(6)37(46)27(2)18-16-14-12-10-11-13-15-17-19-33(48-8)24-36(44)45/h10-20,27-35,37-40,42-43,46-47H,21-25H2,1-9H3,(H,44,45)/b11-10-,14-12+,15-13+,18-16-,19-17-,26-20+/t27-,28-,29-,30+,31-,32+,33+,34+,35-,37-,38-,39-,40-,41+/m0/s1

UniChem compound ID

1 reference

Natural Product Atlas ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

STVCQEJBQVSPCR-RDDIVXQQSA-N

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