spinosyn A

Chemical Formula:

C₄₁H₆₆NO₁₀

Molecular Weight:

732.973 Daltons

Monoisotopic Mass:

732.4686723448 Daltons

SMILES:

CCC4(OC(=O)C[CH]3([CH]2(C=C[CH]6(CC(OC1(C(OC)C(OC)C(OC)C(C)O1))C[CH]([CH]2C=C3C(=O)C(C)C(CCC4)OC5(OC(C)C(CC5)[N+](C)C))6))))

InChI:

1S/C41H65NO10/c1-10-26-12-11-13-34(52-36-17-16-33(42(5)6)23(3)48-36)22(2)37(44)32-20-30-28(31(32)21-35(43)50-26)15-14-25-18-27(19-29(25)30)51-41-40(47-9)39(46-8)38(45-7)24(4)49-41/h14-15,20,22-31,33-34,36,38-41H,10-13,16-19,21H2,1-9H3/p+1/t22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34+,36+,38+,39-,40-,41+/m1/s1

InChIKey:

SRJQTHAZUNRMPR-UYQKXTDMSA-O

Synonyms

A 83543A
lepicidin A

Databases

MetaCyc: CPD-13385

RefMet: Spinosyn A

PubChem (CID): 90657828 443059

MetaboLights: MTBLC9230

KEGG: C11054

ChEBI: 9230

Seed: cpd07938

MetaNetX: MNXM82596