input word = C00003752

Metabolite InformationStructural formula
Name Papyriferic acid
Formula C35H56O8
Mw 604.39751876
CAS RN 78782-15-7
C_ID C00003752 ,
InChIKey RLVAVWQAAQFUOP-HEEPPZINNA-N
InChICode InChI=1S/C35H56O8/c1-20(36)41-22-18-24-32(6)14-12-25(42-28(39)19-27(37)38)30(2,3)23(32)11-16-33(24,7)34(8)15-10-21(29(22)34)35(9)17-13-26(43-35)31(4,5)40/h21-26,29,40H,10-19H2,1-9H3,(H,37,38)/t21-,22+,23-,24+,25+,26+,29-,32-,33+,34+,35-/m0/s1
SMILES C1[C@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2([C@H]([C@@H](C1)OC(=O)C)[C@H](CC2)[C@@]1(CC[C@@H](O1)C(C)(O)C)C)C)C)C)(C)C)OC(=O)CC(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBetulaceaeBetula resinifera Ref.
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OrganismBetula resinifera
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter59