input word = C00019880

Metabolite InformationStructural formula
Name Gigasol
Formula C30H34O11
Mw 570.21011193
CAS RN 133956-34-0
C_ID C00019880 ,
InChIKey MDNQVRKYHGPJNA-XHEJRLEYNA-N
InChICode InChI=1S/C30H34O11/c1-29(2,37)21(31)11-17-9-15-5-7-23(33)40-27(15)19(25(17)35)13-39-14-20-26(36)18(12-22(32)30(3,4)38)10-16-6-8-24(34)41-28(16)20/h5-10,21-22,31-32,35-38H,11-14H2,1-4H3/t21-,22-/m1/s1
SMILES c1(c(cc2c(c1COCc1c(c(cc3c1oc(=O)cc3)C[C@H](C(C)(O)C)O)O)oc(=O)cc2)C[C@H](C(C)(O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAngelica gigas Ref.
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OrganismAngelica gigas
ReferenceJung,Phytochem.,30,(1991),710