input word = C00026651

Metabolite InformationStructural formula
Name 3,4-Dehydrostrictosidinic acid
Formula C26H30N2O9
Mw 514.19513057
CAS RN 792915-60-7
C_ID C00026651 ,
InChIKey QNVNXPBFKQJAIB-MMPDDSMINA-N
InChICode InChI=1S/C26H30N2O9/c1-2-12-15(9-18-20-14(7-8-27-18)13-5-3-4-6-17(13)28-20)16(24(33)34)11-35-25(12)37-26-23(32)22(31)21(30)19(10-29)36-26/h2-6,11-12,15,19,21-23,25-26,28-32H,1,7-10H2,(H,33,34)/t12-,15-,19+,21-,22-,23-,25+,26-/m0/s1
SMILES c1ccc2c(c1)[nH]c1c2CCN=C1C[C@@H]1C(=CO[C@@H]([C@H]1C=C)O[C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@@H]1O)CO)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeChimarrhis turbinata Ref.
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