(Q75057414)

English

Sorangicin A

bioactive natural product

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instance of

type of chemical entity

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subclass of

6-methyl-8-{22,25,26-trihydroxy-21,40-dimethyl-3-oxo-2,11,15,35,39-pentaoxapentacyclo[32.2.2.1¹²,¹⁶.1²⁰,²⁴.0¹⁰,¹⁴]tetraconta-4,6,8,17,27,31,37-heptaen-36-yl}non-7-enoic acid

1 reference

based on heuristic

inferred from SMILES

6-methyl-8-[(4E)-22,25,26-trihydroxy-21,40-dimethyl-3-oxo-2,11,15,35,39-pentaoxapentacyclo[32.2.2.1¹²,¹⁶.1²⁰,²⁴.0¹⁰,¹⁴]tetraconta-4,6,8,17,27,31,37-heptaen-36-yl]non-7-enoic acid

1 reference

based on heuristic

inferred from SMILES

6-methyl-8-[(6E)-22,25,26-trihydroxy-21,40-dimethyl-3-oxo-2,11,15,35,39-pentaoxapentacyclo[32.2.2.1¹²,¹⁶.1²⁰,²⁴.0¹⁰,¹⁴]tetraconta-4,6,8,17,27,31,37-heptaen-36-yl]non-7-enoic acid

1 reference

based on heuristic

inferred from SMILES

mass

806.460512932 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

OTABDKFPJQZJRD-LQAMCLTJSA-N

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

OTABDKFPJQZJRD-GMDNPRRPSA-N

1 reference

based on heuristic

inferred from InChI

OTABDKFPJQZJRD-OBOSXRRFSA-N

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₇H₆₆O₁₁

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canonical SMILES

O=C1OC2C=CC(OC2C(=CC(C)CCCCC(=O)O)C)CC=CCCC=CC(O)C(O)C3OC(CC=CC4OC5CC(OC5C=CC=CC=C1)C4C)C(C)C(O)C3

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isomeric SMILES

C/C(=C\C(C)CCCCC(=O)O)C1OC2C=CC1OC(=O)/C=C\C=C/C=C/[C@H]1O[C@@H]3C[C@H]1O[C@@H](/C=C/CC1O[C@H](C[C@H](O)C1C)C(O)C(O)/C=C/CC/C=C/C2)[C@@H]3C

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Identifiers

InChI

InChI=1S/C47H66O11/c1-30(17-14-15-23-44(50)51)27-31(2)47-40-26-25-34(54-47)18-10-6-5-7-11-19-35(48)46(53)43-28-36(49)32(3)37(56-43)21-16-22-38-33(4)41-29-42(55-38)39(57-41)20-12-8-9-13-24-45(52)58-40/h6,8-13,16,19-20,22,24-27,30,32-43,46-49,53H,5,7,14-15,17-18,21,23,28-29H2,1-4H3,(H,50,51)/b9-8-,10-6+,19-11+,20-12+,22-16+,24-13-,31-27+/t30?,32?,33-,34?,35?,36-,37?,38-,39+,40?,41+,42+,43+,46?,47?/m0/s1

0 references

InChIKey

OTABDKFPJQZJRD-XKZALBOYSA-N

0 references

2 references

language of work or name

English

matched by identifier from

InChIKey

OTABDKFPJQZJRD-XKZALBOYSA-N

1 reference

Natural Product Atlas ID

NPA000537

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

OTABDKFPJQZJRD-XKZALBOYSA-N

(Q75057414)

Sorangicin A

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