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SIMONIC_ACID_B_METHYLESTER;(11-S)-JALAPINOLIC_ACID-11-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->4)]-O-RHAMNOPYRANOSYL-(1->2)
SpectraBase Compound ID 2hx3geZK3F4
InChI InChI=1S/C69H106O34/c1-19-20-26-29-48(30-27-24-22-21-23-25-28-31-49(81)82-18)99-65-64(57(93-42(12)75)52(32(2)83-65)90-39(9)72)103-69-62(97-46(16)79)58(94-43(13)76)53(35(5)87-69)100-67-63(98-47(17)80)59(102-68-61(96-45(15)78)56(92-41(11)74)51(34(4)85-68)89-38(8)71)54(36(6)86-67)101-66-60(95-44(14)77)55(91-40(10)73)50(33(3)84-66)88-37(7)70/h32-36,48,50-69H,19-31H2,1-18H3/t32-,33+,34-,35+,36+,48-,50+,51-,52+,53+,54+,55-,56+,57+,58-,59-,60-,61+,62-,63-,64-,65+,66+,67+,68-,69+/m0/s1
InChIKey DQGIDIQMRRLYPS-FRBXNHMNSA-N
Mol Weight 1479.6 g/mol
Molecular Formula C69H106O34
Exact Mass 1478.65655 g/mol
Enantiomer InChIKey DQGIDIQMRRLYPS-UFOUYZFQSA-N
Unknown Identification

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