input word = C00057324

Metabolite InformationStructural formula
Name Rubitic acid
Formula C30H48O4
Mw 472.35526002
CAS RN 28348-90-5
C_ID C00057324
InChIKey DZLAZTJTKXGAGR-ZULNDKKXSA-N
InChICode InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(24(30)18(17)2)8-9-20-27(5)12-11-22(31)26(3,4)21(27)16-23(32)29(20,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22+,23-,24+,27-,28-,29+,30+/m1/s1
SMILES C[C@@]12CC[C@@]3(C(O)=O)CC[C@@H](C)[C@H](C)[C@@]3([H])C1=CC[C@]4([H])[C@@]5(C)CC[C@H](O)C(C)(C)[C@@]([H])5C[C@@H](O)[C@@]24C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeRubus fruticosus Ref.
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OrganismRubus fruticosus
ReferenceSarkar, A. et al., Phytochemistry, 1978, 17, 1983