input word = C00036535

Metabolite InformationStructural formula
Name 3alpha-Hydroxy-2-oxofriedelane-20alpha-carboxylic acid
Formula C30H48O4
Mw 472.35526002
CAS RN 379261-34-4
C_ID C00036535 ,
InChIKey SWVZUKMWVDSFBK-YSBUPBDDNA-N
InChICode InChI=1S/C30H48O4/c1-18-23(32)19(31)16-21-27(18,4)9-8-20-28(21,5)13-15-30(7)22-17-26(3,24(33)34)11-10-25(22,2)12-14-29(20,30)6/h18,20-23,32H,8-17H2,1-7H3,(H,33,34)/t18-,20-,21+,22+,23-,25-,26+,27+,28+,29+,30-/m0/s1
SMILES C1(=O)[C@H]([C@@H]([C@@]2([C@@H](C1)[C@]1([C@H](CC2)[C@@]2([C@@](CC1)([C@H]1[C@](CC2)(CC[C@@](C1)(C)C(=O)O)C)C)C)C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeMaytenus hetephylla Ref.
PlantaeCelastraceaeMaytenus heterophylla Ref.
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OrganismMaytenus heterophylla
ReferenceOrabi,Phytochem.,58,(2001),475