input word = C00036958

Metabolite InformationStructural formula
Name Cryptostigmin II
Formula C37H56O15
Mw 740.36192112
CAS RN 50906-57-5
C_ID C00036958 ,
InChIKey HAPQAPVIZTWVQY-NQFOGXNSNA-N
InChICode InChI=1S/C37H56O15/c1-16-32(52-34-30(44)28(42)27(41)24(14-38)51-34)29(43)31(45)33(48-16)50-20-7-9-35(3)19(12-20)5-6-22-21(35)8-10-36(4)26(18-11-25(40)47-15-18)23(49-17(2)39)13-37(22,36)46/h11,16,19-24,26-34,38,41-46H,5-10,12-15H2,1-4H3/t16-,19+,20-,21-,22+,23-,24+,26-,27+,28-,29-,30+,31+,32-,33-,34-,35-,36+,37-/m0/s1
SMILES C1[C@@H](C[C@@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@@]2([C@](CC1)([C@H]([C@H](C2)OC(=O)C)C1=CC(=O)OC1)C)O)C)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCryptostegia grandiflora Ref.
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OrganismCryptostegia grandiflora
ReferenceKamel,Phytochem.,58,(2001),537