input word = C00031236

Metabolite InformationStructural formula
Name Rubianol c
Formula C32H52O5
Mw 516.38147477
CAS RN 551930-34-8
C_ID C00031236 ,
InChIKey QIFUZQYPSMCPOR-CFZLPUJYNA-N
InChICode InChI=1S/C32H52O5/c1-18(2)21-15-23(35)27-31(8)12-9-20-26(30(31,7)13-14-32(21,27)17-37-19(3)33)22(34)16-24-28(4,5)25(36)10-11-29(20,24)6/h9,18,21-27,34-36H,10-17H2,1-8H3/t21-,22-,23+,24+,25-,26-,27+,29+,30-,31+,32+/m0/s1
SMILES [C@H]12[C@@](CC[C@@]3([C@@]1(CC=C1[C@H]3[C@H](C[C@H]3[C@@]1(CC[C@@H](C3(C)C)O)C)O)C)C)([C@@H](C[C@H]2O)C(C)C)COC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeRubia yunnanensis Ref.
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