input word = C00036959

Metabolite InformationStructural formula
Name Cryptostigmin III
(-)-Cryptostigmin III
Formula C38H58O15
Mw 754.37757118
CAS RN 382594-37-8
C_ID C00036959 ,
InChIKey XRXCJPMZYAWJHD-PBFNLSONNA-N
InChICode InChI=1S/C38H58O15/c1-5-25(40)51-23-14-38(47)22-7-6-19-13-20(8-10-36(19,3)21(22)9-11-37(38,4)27(23)18-12-26(41)48-16-18)50-34-32(46)30(44)33(17(2)49-34)53-35-31(45)29(43)28(42)24(15-39)52-35/h12,17,19-24,27-35,39,42-47H,5-11,13-16H2,1-4H3/t17-,19-,20+,21+,22-,23+,24-,27+,28-,29+,30+,31-,32-,33-,34+,35+,36+,37-,38+/m1/s1
SMILES CCC(=O)O[C@H]1C[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O[C@@H]5O[C@H](C)C(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C1=CC(=O)OC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCryptostegia grandiflora Ref.
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