input word = C00050688

Metabolite InformationStructural formula
Name 3beta-Isodihydrocadambine
Formula C27H34N2O10
Mw 546.22134532
CAS RN 62014-69-1
C_ID C00050688
InChIKey FCECVXQMCZMWDG-GLIUBSGJNA-N
InChICode InChI=1S/C27H34N2O10/c1-36-25(35)15-11-37-26(39-27-24(34)23(33)22(32)19(10-31)38-27)20-14(15)8-17-21-13(6-7-29(17)18(20)9-30)12-4-2-3-5-16(12)28-21/h2-5,11,14,17-20,22-24,26-28,30-34H,6-10H2,1H3/t14-,17-,18+,19-,20+,22-,23+,24-,26+,27+/m1/s1
SMILES COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C[C@@H]1c3[nH]c4ccccc4c3CCN1[C@H]2CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeUncaria rhynchophyllus Ref.
PlantaeRubiaceaeUncaria sinensis Ref.
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