input word = C00025141

Metabolite InformationStructural formula
Name 3alpha-Dihydrocadambine
Formula C27H34N2O10
Mw 546.22134532
CAS RN 54483-84-0
C_ID C00025141 ,
InChIKey HNZGKRAKJFZQAY-XRGZMTHUNA-N
InChICode InChI=1S/C27H34N2O10/c1-36-25(35)15-11-37-26(39-27-24(34)23(33)22(32)19(10-30)38-27)20-14(15)8-17-21-13(6-7-29(17)9-18(20)31)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 c12c3c([nH]c1cccc2)[C@H]1N(CC3)C[C@H]([C@@H]2[C@H](C1)C(=CO[C@H]2O[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@@H]1O)CO)C(=O)OC)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeAnthocephalus cadamba Ref.
PlantaeRubiaceaeAnthocephalus chinensis (Lamk.) Ref.
PlantaeRubiaceaeNauclea cadamba ROXB. Ref.
PlantaeRubiaceaeUncaria rhynchophylla Miq. Ref.
PlantaeRubiaceaeUncaria sinensis Ref.
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